 Entering Gaussian System, Link 0=g16
 Input=20_transdimethyltiirane_STD_B3LYPDBJ-def2SVPDr.in
 Output=20_transdimethyltiirane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/20_transdimethyltiirane_STD/Gau-5586.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/20_transdimethyltiirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5590.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=20_transdimethyltiirane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "20_transdimethyltiirane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.599491000000     -0.369878000000      0.431357000000
  C                                                -0.599488000000     -0.369888000000     -0.431357000000
  S                                                -0.000005000000      1.310943000000     -0.000002000000
  C                                                 1.938838000000     -0.811623000000     -0.094154000000
  C                                                -1.938831000000     -0.811630000000      0.094156000000
  H                                                 0.415368000000     -0.613481000000      1.473325000000
  H                                                -0.415358000000     -0.613502000000     -1.473321000000
  H                                                 2.751939000000     -0.367214000000      0.481119000000
  H                                                 2.030524000000     -1.899878000000     -0.024340000000
  H                                                 2.060606000000     -0.517889000000     -1.136950000000
  H                                                -2.751938000000     -0.367061000000     -0.480988000000
  H                                                -2.030600000000     -1.899865000000      0.024153000000
  H                                                -2.060517000000     -0.518072000000      1.137011000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          32          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  31.9720718  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000  13.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000  16.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.477101   0.000000
     3  S    1.835926   1.835930   0.000000
     4  C    1.505042   2.598448   2.876328   0.000000
     5  C    2.598447   1.505038   2.876322   3.882239   0.000000
     6  H    1.085791   2.171885   2.458991   2.194815   2.735621
     7  H    2.171882   1.085790   2.458999   2.735616   2.194814
     8  H    2.153025   3.473425   3.258970   1.090675   4.727639
     9  H    2.143925   3.069771   3.799080   1.094340   4.117536
    10  H    2.148570   2.756060   2.980502   1.090198   4.194926
    11  H    3.473393   2.153024   3.258862   4.727648   1.090676
    12  H    3.069862   2.143922   3.799104   4.117609   1.094339
    13  H    2.756003   2.148568   2.980571   4.194852   1.090197
                    6          7          8          9         10
     6  H    0.000000
     7  H    3.061508   0.000000
     8  H    2.550428   3.729915   0.000000
     9  H    2.550793   3.120360   1.767763   0.000000
    10  H    3.086986   2.500537   1.766010   1.774458   0.000000
    11  H    3.729865   2.550503   5.587335   5.042816   4.859384
    12  H    3.120520   2.550719   5.042868   4.061414   4.471687
    13  H    2.500443   3.086987   4.859289   4.471548   4.706862
                   11         12         13
    11  H    0.000000
    12  H    1.767762   0.000000
    13  H    1.766009   1.774458   0.000000
 Stoichiometry    C4H8S
 Framework group  C1[X(C4H8S)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.3481899           3.5229824           2.3648219
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 5 1.00
     Exponent=  9.1849303010D+03 Coefficients= -2.2294387756D-03
     Exponent=  1.3815105503D+03 Coefficients= -1.6683029937D-02
     Exponent=  3.1387147580D+02 Coefficients= -7.5262436116D-02
     Exponent=  8.8053870623D+01 Coefficients= -1.9376827038D-01
     Exponent=  2.7039914905D+01 Coefficients= -1.7718020803D-01
 S 3 1.00
     Exponent=  4.5648731303D+01 Coefficients= -1.0736062573D-01
     Exponent=  4.9664522326D+00 Coefficients=  6.5066293018D-01
     Exponent=  2.0116242047D+00 Coefficients=  5.9712155354D-01
 S 1 1.00
     Exponent=  3.5661077013D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3507221477D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.4999823506D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  2.6198233439D+02 Coefficients= -9.2729929822D-03
     Exponent=  6.1306894736D+01 Coefficients= -6.6547669241D-02
     Exponent=  1.9103729887D+01 Coefficients= -2.4828595903D-01
     Exponent=  6.6567720378D+00 Coefficients= -4.8703847402D-01
     Exponent=  2.3959635161D+00 Coefficients= -3.9337850312D-01
 P 1 1.00
     Exponent=  6.1776161679D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.6993376871D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1706793676D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0172853717D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   181 symmetry adapted cartesian basis functions of A   symmetry.
 There are   171 symmetry adapted basis functions of A   symmetry.
   171 basis functions,   255 primitive gaussians,   181 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       226.7594630262 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0184719848 Hartrees.
 Nuclear repulsion after empirical dispersion term =      226.7409910414 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:              10.6 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   171 RedAO= T EigKep=  1.08D-04  NBF=   171
 NBsUse=   171 1.00D-06 EigRej= -1.00D+00 NBFU=   171
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   181   181   181   181   181 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "20_transdimethyltiirane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637075699 LenY=  5637042497
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -555.228693540770    
 DIIS: error= 3.14D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -555.228693540770     IErMin= 1 ErrMin= 3.14D-03
 ErrMax= 3.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-03 BMatP= 3.73D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.14D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 GapD=    0.230 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.71D-03 MaxDP=2.15D-01              OVMax= 2.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.66D-03    CP:  1.03D+00
 E= -555.232198597382     Delta-E=       -0.003505056613 Rises=F Damp=F
 DIIS: error= 7.20D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -555.232198597382     IErMin= 2 ErrMin= 7.20D-04
 ErrMax= 7.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-04 BMatP= 3.73D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.20D-03
 Coeff-Com:  0.410D-01 0.959D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.407D-01 0.959D+00
 Gap=     0.226 Goal=   None    Shift=    0.000
 RMSDP=6.24D-04 MaxDP=2.43D-02 DE=-3.51D-03 OVMax= 6.13D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.40D-04    CP:  1.04D+00  1.06D+00
 E= -555.232189409724     Delta-E=        0.000009187658 Rises=F Damp=F
 DIIS: error= 8.58D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -555.232198597382     IErMin= 2 ErrMin= 7.20D-04
 ErrMax= 8.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-04 BMatP= 1.16D-04
 IDIUse=3 WtCom= 2.55D-01 WtEn= 7.45D-01
 Coeff-Com: -0.709D-02 0.523D+00 0.484D+00
 Coeff-En:   0.000D+00 0.515D+00 0.485D+00
 Coeff:     -0.181D-02 0.517D+00 0.485D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.15D-04 MaxDP=9.73D-03 DE= 9.19D-06 OVMax= 3.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.63D-05    CP:  1.04D+00  1.05D+00  6.03D-01
 E= -555.232337494376     Delta-E=       -0.000148084652 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -555.232337494376     IErMin= 4 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.87D-06 BMatP= 1.16D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.530D-02 0.249D+00 0.263D+00 0.493D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.530D-02 0.249D+00 0.263D+00 0.493D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=3.16D-05 MaxDP=8.65D-04 DE=-1.48D-04 OVMax= 1.23D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.69D-05    CP:  1.04D+00  1.05D+00  6.29D-01  8.93D-01
 E= -555.232342338357     Delta-E=       -0.000004843981 Rises=F Damp=F
 DIIS: error= 4.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -555.232342338357     IErMin= 5 ErrMin= 4.42D-05
 ErrMax= 4.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-07 BMatP= 4.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-02 0.241D-01 0.367D-01 0.258D+00 0.683D+00
 Coeff:     -0.141D-02 0.241D-01 0.367D-01 0.258D+00 0.683D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=2.55D-04 DE=-4.84D-06 OVMax= 3.72D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.36D-06    CP:  1.04D+00  1.05D+00  6.32D-01  9.34D-01  7.62D-01
 E= -555.232342913626     Delta-E=       -0.000000575269 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -555.232342913626     IErMin= 6 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-08 BMatP= 4.89D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.327D-03-0.182D-02 0.282D-02 0.807D-01 0.279D+00 0.640D+00
 Coeff:     -0.327D-03-0.182D-02 0.282D-02 0.807D-01 0.279D+00 0.640D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.00D-06 MaxDP=2.76D-05 DE=-5.75D-07 OVMax= 4.10D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.04D+00  1.05D+00  6.32D-01  9.41D-01  7.97D-01
                    CP:  8.29D-01
 E= -555.232342932826     Delta-E=       -0.000000019200 Rises=F Damp=F
 DIIS: error= 2.49D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -555.232342932826     IErMin= 7 ErrMin= 2.49D-06
 ErrMax= 2.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-09 BMatP= 1.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.555D-04-0.270D-02-0.127D-02 0.212D-01 0.832D-01 0.295D+00
 Coeff-Com:  0.604D+00
 Coeff:     -0.555D-04-0.270D-02-0.127D-02 0.212D-01 0.832D-01 0.295D+00
 Coeff:      0.604D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.02D-07 MaxDP=1.08D-05 DE=-1.92D-08 OVMax= 8.19D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.04D+00  1.05D+00  6.32D-01  9.43D-01  7.97D-01
                    CP:  8.38D-01  9.12D-01
 E= -555.232342934259     Delta-E=       -0.000000001433 Rises=F Damp=F
 DIIS: error= 3.92D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -555.232342934259     IErMin= 8 ErrMin= 3.92D-07
 ErrMax= 3.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-11 BMatP= 1.42D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.998D-05-0.543D-03-0.445D-03 0.534D-04-0.802D-04 0.326D-01
 Coeff-Com:  0.158D+00 0.811D+00
 Coeff:      0.998D-05-0.543D-03-0.445D-03 0.534D-04-0.802D-04 0.326D-01
 Coeff:      0.158D+00 0.811D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.09D-07 MaxDP=1.59D-06 DE=-1.43D-09 OVMax= 2.66D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.65D-08    CP:  1.04D+00  1.05D+00  6.32D-01  9.43D-01  7.97D-01
                    CP:  8.48D-01  9.32D-01  8.77D-01
 E= -555.232342934293     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 4.84D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -555.232342934293     IErMin= 9 ErrMin= 4.84D-08
 ErrMax= 4.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-13 BMatP= 3.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.303D-05-0.401D-04-0.404D-04-0.463D-03-0.180D-02-0.121D-02
 Coeff-Com:  0.141D-01 0.150D+00 0.839D+00
 Coeff:      0.303D-05-0.401D-04-0.404D-04-0.463D-03-0.180D-02-0.121D-02
 Coeff:      0.141D-01 0.150D+00 0.839D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.88D-08 MaxDP=2.85D-07 DE=-3.39D-11 OVMax= 3.29D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.44D-08    CP:  1.04D+00  1.05D+00  6.32D-01  9.43D-01  7.97D-01
                    CP:  8.48D-01  9.36D-01  9.02D-01  9.10D-01
 E= -555.232342934301     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -555.232342934301     IErMin=10 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-14 BMatP= 5.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.460D-06 0.663D-05 0.468D-05-0.123D-03-0.419D-03-0.157D-02
 Coeff-Com: -0.161D-02 0.983D-02 0.232D+00 0.762D+00
 Coeff:      0.460D-06 0.663D-05 0.468D-05-0.123D-03-0.419D-03-0.157D-02
 Coeff:     -0.161D-02 0.983D-02 0.232D+00 0.762D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.54D-09 MaxDP=1.62D-07 DE=-7.96D-12 OVMax= 8.17D-08

 SCF Done:  E(RB3LYP) =  -555.232342934     A.U. after   10 cycles
            NFock= 10  Conv=0.45D-08     -V/T= 2.0055
 KE= 5.521818070281D+02 PE=-1.761933378981D+03 EE= 4.277782379771D+02
 Leave Link  502 at Fri Jul 16 13:10:32 2021, MaxMem=  5637144576 cpu:             183.8 elap:              23.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   171
 NBasis=   171 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    171 NOA=    24 NOB=    24 NVA=   147 NVB=   147

 **** Warning!!: The largest alpha MO coefficient is  0.27040775D+02

 Leave Link  801 at Fri Jul 16 13:10:32 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3924 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 5.88D-14 8.33D-09 XBig12= 1.00D+00 5.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 5.88D-14 8.33D-09 XBig12= 4.02D-01 1.97D-01.
     11 vectors produced by pass  2 Test12= 5.88D-14 8.33D-09 XBig12= 4.65D-02 5.70D-02.
     11 vectors produced by pass  3 Test12= 5.88D-14 8.33D-09 XBig12= 1.75D-03 1.14D-02.
     11 vectors produced by pass  4 Test12= 5.88D-14 8.33D-09 XBig12= 4.87D-05 1.86D-03.
     11 vectors produced by pass  5 Test12= 5.88D-14 8.33D-09 XBig12= 4.96D-07 1.75D-04.
     11 vectors produced by pass  6 Test12= 5.88D-14 8.33D-09 XBig12= 3.29D-09 1.18D-05.
     11 vectors produced by pass  7 Test12= 5.88D-14 8.33D-09 XBig12= 1.80D-11 8.55D-07.
      6 vectors produced by pass  8 Test12= 5.88D-14 8.33D-09 XBig12= 7.34D-14 4.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.60D-14
 Solved reduced A of dimension    94 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.783372D+02
      2 -0.202456D-04  0.797125D+02
      3 -0.239503D-02  0.138602D-03  0.611674D+02
 Isotropic polarizability for W=    0.093368       73.07 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.396543D-03 -0.348029D+02  0.141677D-03
      2  -0.786594D-03  0.219210D+02 -0.222090D-02
      3   0.118314D-02  0.128819D+02  0.207922D-02
      4  -0.382354D+02 -0.122237D-02 -0.788024D+01
      5   0.190315D-03 -0.489144D+01  0.117396D-02
      6  -0.578884D+01 -0.277861D-02 -0.502046D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.218762D+01  0.337457D-03 -0.217939D+01
      2   0.422388D-04  0.320172D+01 -0.727844D-04
      3   0.529659D+01 -0.261223D-03 -0.196780D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.298880D+01 -0.557712D-03  0.179023D+02
      2  -0.486374D-04 -0.209140D+01 -0.917722D-05
      3  -0.343251D+01  0.435780D-03 -0.897402D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.136416D+01 -0.170718D-03  0.102943D+01
      2  -0.170718D-03 -0.260056D+01  0.136827D-03
      3   0.102943D+01  0.136827D-03  0.282697D+00
 OR G Eigenvalues:    -2.6006    -0.3394     1.9862  Iso=     0.3179
 Eigenvectors:
   (1)   0.000061   1.000000  -0.000069
   (2)  -0.517192   0.000091   0.855869
   (3)   0.855869  -0.000016   0.517192
 w=    0.093368 a.u., Optical Rotation Beta=      0.3179 au.
 Molar Mass =     88.1672 grams/mole, [Alpha] ( 4880.0 A) =      203.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   14706 ScalPx= 1.40D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   14706 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.35D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 9.80D-15 2.78D-09 XBig12= 1.00D+00 5.26D-01.
     30 vectors produced by pass  1 Test12= 9.80D-15 2.78D-09 XBig12= 2.02D-02 2.72D-02.
     30 vectors produced by pass  2 Test12= 9.80D-15 2.78D-09 XBig12= 4.84D-04 4.75D-03.
     30 vectors produced by pass  3 Test12= 9.80D-15 2.78D-09 XBig12= 2.28D-06 2.75D-04.
     30 vectors produced by pass  4 Test12= 9.80D-15 2.78D-09 XBig12= 7.52D-09 1.46D-05.
     30 vectors produced by pass  5 Test12= 9.80D-15 2.78D-09 XBig12= 2.01D-11 7.35D-07.
     11 vectors produced by pass  6 Test12= 9.80D-15 2.78D-09 XBig12= 1.86D-14 2.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   191 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   14706 ScalPx= 3.30D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   14706 ScalPx= 3.30D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   14706 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.783372D+02 -0.202456D-04 -0.239503D-02
      2  -0.202456D-04  0.797125D+02  0.138602D-03
      3  -0.239503D-02  0.138602D-03  0.611674D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.218762D+01  0.337457D-03 -0.217939D+01
      2   0.422388D-04  0.320172D+01 -0.727844D-04
      3   0.529659D+01 -0.261223D-03 -0.196780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.396543D-03 -0.348029D+02  0.141677D-03
      2  -0.786594D-03  0.219210D+02 -0.222090D-02
      3   0.118314D-02  0.128819D+02  0.207922D-02
      4  -0.382354D+02 -0.122237D-02 -0.788024D+01
      5   0.190315D-03 -0.489144D+01  0.117396D-02
      6  -0.578884D+01 -0.277861D-02 -0.502046D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.450372D+01 -0.165017D+01  0.198295D+01 -0.305144D+01  0.735141D+01
      2  -0.165017D+01  0.222806D+01 -0.111248D+01  0.735141D+01 -0.910386D+01
      3   0.198295D+01 -0.111248D+01  0.239375D+01 -0.137550D+00  0.140929D+01
                 6             7             8             9            10 
      1  -0.137550D+00  0.423326D+01 -0.863213D+00  0.157604D+01 -0.450402D+01
      2   0.140929D+01 -0.863213D+00 -0.642675D+00  0.243431D+01 -0.165018D+01
      3  -0.289241D+00  0.157604D+01  0.243431D+01 -0.682412D+01 -0.198302D+01
                11            12            13            14            15 
      1  -0.165018D+01 -0.198302D+01 -0.305170D+01 -0.735162D+01 -0.137724D+00
      2  -0.222811D+01 -0.111255D+01 -0.735162D+01 -0.910389D+01 -0.140954D+01
      3  -0.111255D+01 -0.239374D+01 -0.137724D+00 -0.140954D+01 -0.289207D+00
                16            17            18            19            20 
      1  -0.423330D+01 -0.863079D+00 -0.157597D+01  0.268753D-04  0.852474D+01
      2  -0.863079D+00  0.642480D+00  0.243429D+01  0.852474D+01 -0.436585D-04
      3  -0.157597D+01  0.243429D+01  0.682421D+01  0.404121D-04  0.176471D+01
                21            22            23            24            25 
      1   0.404121D-04  0.765461D+01  0.699687D-04  0.712587D+00  0.752677D-04
      2   0.176471D+01  0.699687D-04  0.231332D+02  0.104652D-03  0.339383D+01
      3  -0.531327D-04  0.712587D+00  0.104652D-03  0.494847D+01  0.728254D-05
                26            27            28            29            30 
      1   0.339383D+01  0.728254D-05 -0.298779D+01 -0.123267D+01 -0.310650D+01
      2   0.749819D-04  0.636630D+01 -0.123267D+01 -0.145840D+01 -0.416405D+00
      3   0.636630D+01  0.686503D-04 -0.310650D+01 -0.416405D+00 -0.149614D+01
                31            32            33            34            35 
      1  -0.883566D-01 -0.560179D+01 -0.677510D+00 -0.371190D+01 -0.499498D+00
      2  -0.560179D+01  0.985709D+01 -0.240268D+00 -0.499498D+00 -0.982044D+00
      3  -0.677510D+00 -0.240268D+00 -0.235239D+01 -0.235612D+01 -0.173820D+01
                36            37            38            39            40 
      1  -0.235612D+01  0.298861D+01 -0.123254D+01  0.310635D+01 -0.888088D-01
      2  -0.173820D+01 -0.123254D+01  0.145944D+01 -0.416493D+00  0.560272D+01
      3   0.450528D+01  0.310635D+01 -0.416493D+00  0.149535D+01 -0.677535D+00
                41            42            43            44            45 
      1   0.560272D+01 -0.677535D+00  0.371205D+01 -0.498851D+00  0.235524D+01
      2   0.985657D+01  0.241962D+00 -0.498851D+00  0.984274D+00 -0.173757D+01
      3   0.241962D+00 -0.235167D+01  0.235524D+01 -0.173757D+01 -0.450674D+01
                46            47            48            49            50 
      1   0.271731D+00 -0.101009D+01  0.102246D+01 -0.687960D+00 -0.225796D-01
      2  -0.101009D+01 -0.200018D+00  0.194165D+00 -0.225796D-01 -0.486815D+00
      3   0.102246D+01  0.194165D+00 -0.935189D+00 -0.196080D+00  0.138313D+01
                51            52            53            54            55 
      1  -0.196080D+00  0.151489D+01 -0.512199D+00  0.167251D+00 -0.271723D+00
      2   0.138313D+01 -0.512199D+00  0.307010D+01 -0.346780D+01 -0.101007D+01
      3  -0.139143D+01  0.167251D+00 -0.346780D+01  0.788919D+01 -0.102249D+01
                56            57            58            59            60 
      1  -0.101007D+01 -0.102249D+01 -0.687980D+00  0.225598D-01 -0.196053D+00
      2   0.200066D+00  0.194193D+00  0.225598D-01 -0.486822D+00 -0.138316D+01
      3   0.194193D+00  0.935254D+00 -0.196053D+00 -0.138316D+01 -0.139154D+01
                61            62            63            64            65 
      1  -0.151483D+01 -0.512213D+00 -0.167223D+00  0.791418D+01  0.637946D+00
      2  -0.512213D+00 -0.307016D+01 -0.346781D+01  0.637946D+00  0.996730D+00
      3  -0.167223D+00 -0.346781D+01 -0.788923D+01  0.255608D+01  0.389958D+00
                66            67            68            69            70 
      1   0.255608D+01  0.293830D+01  0.182447D+01  0.871787D+00  0.415499D+01
      2   0.389958D+00  0.182447D+01 -0.507649D-01  0.718219D+00  0.111755D+00
      3   0.185725D+01  0.871787D+00  0.718219D+00  0.111361D+01  0.251377D+01
                71            72            73            74            75 
      1   0.111755D+00  0.251377D+01  0.134768D+01 -0.144521D+01  0.480843D+00
      2   0.102452D+01  0.555282D+00 -0.144521D+01  0.793293D+00 -0.158218D-01
      3   0.555282D+00  0.174932D+01  0.480843D+00 -0.158218D-01  0.103780D+00
                76            77            78            79            80 
      1  -0.406113D+01  0.489257D+01  0.142715D+00  0.112068D+01 -0.363988D+00
      2   0.489257D+01 -0.113778D+02  0.169553D+00 -0.363988D+00  0.764708D+00
      3   0.142715D+00  0.169553D+00 -0.949668D+00  0.771763D+00 -0.125123D+01
                81            82            83            84            85 
      1   0.771763D+00  0.107596D+01  0.437780D+00 -0.795639D+00  0.112336D+01
      2  -0.125123D+01  0.437780D+00  0.254322D+00  0.781945D-01  0.621850D+00
      3   0.205339D-01 -0.795639D+00  0.781945D-01  0.913394D+00 -0.359606D+00
                86            87            88            89            90 
      1   0.621850D+00 -0.359606D+00 -0.219065D+01  0.430171D+00  0.213590D+01
      2  -0.404475D+00 -0.794899D+00  0.430171D+00 -0.116044D+01  0.284514D+00
      3  -0.794899D+00  0.139490D+01  0.213590D+01  0.284514D+00 -0.637653D+01
                91            92            93            94            95 
      1  -0.791453D+01  0.638380D+00 -0.255562D+01  0.293929D+01 -0.182489D+01
      2   0.638380D+00 -0.997083D+00  0.390122D+00 -0.182489D+01 -0.503188D-01
      3  -0.255562D+01  0.390122D+00 -0.185679D+01  0.871948D+00 -0.718409D+00
                96            97            98            99           100 
      1   0.871948D+00 -0.415425D+01  0.111854D+00 -0.251324D+01 -0.134825D+01
      2  -0.718409D+00  0.111854D+00 -0.102468D+01  0.555353D+00 -0.144560D+01
      3   0.111368D+01 -0.251324D+01  0.555353D+00 -0.174848D+01 -0.481001D+00
               101           102           103           104           105 
      1  -0.144560D+01 -0.481001D+00 -0.406118D+01 -0.489296D+01  0.142362D+00
      2  -0.793984D+00 -0.159353D-01 -0.489296D+01 -0.113774D+02 -0.170668D+00
      3  -0.159353D-01 -0.103810D+00  0.142362D+00 -0.170668D+00 -0.949755D+00
               106           107           108           109           110 
      1  -0.112154D+01 -0.364841D+00 -0.771730D+00 -0.107559D+01  0.437679D+00
      2  -0.364841D+00 -0.766353D+00 -0.125131D+01  0.437679D+00 -0.254278D+00
      3  -0.771730D+00 -0.125131D+01 -0.209174D-01  0.795552D+00  0.783491D-01
               111           112           113           114           115 
      1   0.795552D+00  0.112299D+01 -0.621808D+00 -0.359339D+00  0.219054D+01
      2   0.783491D-01 -0.621808D+00 -0.404732D+00  0.794686D+00  0.430271D+00
      3  -0.913065D+00 -0.359339D+00  0.794686D+00  0.139423D+01 -0.213568D+01
               116           117 
      1   0.430271D+00 -0.213568D+01
      2   0.116019D+01  0.283883D+00
      3   0.283883D+00  0.637741D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.143168D+01  0.396069D+01 -0.747456D+00 -0.147534D+00 -0.990147D+01
      2   0.167665D+01 -0.244773D+01  0.315163D+01  0.205818D+01 -0.318693D+01
      3   0.211081D+01 -0.801751D+01  0.247312D+01  0.106561D+01 -0.392886D+00
                 6             7             8             9            10 
      1   0.203781D+01 -0.558058D+01  0.871560D+01 -0.213793D+01  0.143134D+01
      2   0.246887D+01 -0.798026D+01  0.914746D+01 -0.597769D+01  0.167614D+01
      3   0.117182D+01  0.626959D+00 -0.876665D-01 -0.264685D+01 -0.210984D+01
                11            12            13            14            15 
      1   0.396050D+01  0.747665D+00 -0.147916D+00  0.990083D+01  0.203789D+01
      2   0.244792D+01  0.315189D+01 -0.205789D+01 -0.318641D+01 -0.246883D+01
      3  -0.801755D+01 -0.247296D+01  0.106646D+01  0.393741D+00  0.117160D+01
                16            17            18            19            20 
      1   0.558077D+01  0.871555D+01  0.213808D+01  0.224892D-03 -0.856077D+01
      2  -0.798056D+01 -0.914724D+01 -0.597821D+01  0.452608D+01  0.109010D-03
      3  -0.626921D+00 -0.880041D-01  0.264650D+01 -0.208742D-03 -0.104205D+02
                21            22            23            24            25 
      1  -0.983519D-04 -0.432031D+01  0.422077D-04 -0.154822D+02 -0.834503D-05
      2   0.725928D+01 -0.395882D-04  0.529996D+01  0.000000D+00 -0.984990D+01
      3  -0.147601D-03  0.183529D+02 -0.584567D-03  0.690171D+00 -0.336402D-03
                26            27            28            29            30 
      1   0.698477D+01  0.607770D-04 -0.146343D+01 -0.733408D+00 -0.219240D+01
      2  -0.687977D-04  0.282959D+00 -0.938758D+01 -0.349042D+00 -0.252174D+01
      3   0.395547D+01  0.240189D-04  0.998710D+01  0.145460D+01  0.376436D+01
                31            32            33            34            35 
      1  -0.605254D+00 -0.487217D+00 -0.370762D+01 -0.335614D+01  0.854398D+00
      2  -0.403665D+01  0.127655D+01 -0.632821D+01 -0.980282D+01 -0.276186D+01
      3   0.171717D+02 -0.185115D+02  0.163490D+01  0.421918D+01  0.189924D+01
                36            37            38            39            40 
      1   0.596267D+01  0.146311D+01 -0.733186D+00  0.219119D+01 -0.604518D+00
      2   0.973874D+01 -0.938606D+01  0.349670D+00 -0.251962D+01  0.403586D+01
      3   0.777429D+01 -0.998908D+01  0.145662D+01 -0.376509D+01  0.171747D+02
                41            42            43            44            45 
      1   0.489397D+00 -0.370626D+01  0.335446D+01  0.855036D+00 -0.596366D+01
      2   0.127181D+01  0.632662D+01 -0.980001D+01  0.276069D+01  0.974274D+01
      3   0.185093D+02  0.163969D+01 -0.421863D+01  0.190372D+01 -0.777138D+01
                46            47            48            49            50 
      1  -0.669482D+00  0.370973D+00 -0.349531D+00  0.649257D+00 -0.120890D+00
      2   0.180335D+01  0.143934D+01 -0.209835D+00  0.195228D+01  0.126706D+01
      3   0.483578D+00  0.194115D+00 -0.604229D+00  0.206943D+01  0.155456D+01
                51            52            53            54            55 
      1  -0.248140D+01 -0.113283D+01  0.269528D+01  0.283199D+01  0.669430D+00
      2  -0.253163D+01 -0.277271D+01 -0.389694D+01  0.714920D+01  0.180344D+01
      3  -0.178682D+01 -0.130935D+01 -0.238910D+01  0.265321D+01 -0.483581D+00
                56            57            58            59            60 
      1   0.371010D+00  0.349680D+00  0.649313D+00  0.121024D+00 -0.248141D+01
      2  -0.143934D+01 -0.209900D+00 -0.195234D+01  0.126706D+01  0.253176D+01
      3   0.194276D+00  0.604343D+00  0.206956D+01 -0.155458D+01 -0.178685D+01
                61            62            63            64            65 
      1   0.113281D+01  0.269524D+01 -0.283201D+01  0.206570D+01  0.675483D+00
      2  -0.277261D+01  0.389694D+01  0.714910D+01  0.510864D+01  0.987729D+00
      3   0.130928D+01 -0.238925D+01 -0.265319D+01 -0.102924D+02 -0.527858D+01
                66            67            68            69            70 
      1   0.130491D+01  0.938190D+00  0.489588D+00  0.385460D-01  0.113888D+01
      2   0.663440D+01  0.205732D+01  0.127522D+01  0.352463D+01  0.384714D+01
      3  -0.378372D+01 -0.524699D+01 -0.230375D+01 -0.261346D+01 -0.490446D+01
                71            72            73            74            75 
      1   0.185033D+01  0.917023D+00 -0.215527D+00 -0.111243D+00  0.907131D+00
      2   0.150747D+01  0.442228D+01  0.427951D+00 -0.108329D+00  0.162618D+01
      3  -0.327765D+01 -0.380051D+01  0.328011D+00 -0.190397D+01 -0.216568D+00
                76            77            78            79            80 
      1   0.870409D+00  0.338827D+00 -0.423558D+01  0.121029D+01 -0.784084D+00
      2   0.196889D+01 -0.147113D+01 -0.318279D+01  0.759135D+00 -0.210900D+01
      3  -0.401882D+01  0.224956D+02 -0.782883D+00 -0.467243D+00 -0.112992D+01
                81            82            83            84            85 
      1  -0.604661D+00 -0.927043D+00  0.117763D+00  0.110408D+01  0.455590D+00
      2  -0.608823D+00 -0.189245D+01  0.449309D+00  0.298148D+01  0.916948D+00
      3   0.100780D+01 -0.141292D+01 -0.116700D+01  0.929086D+00 -0.632503D+00
                86            87            88            89            90 
      1  -0.162291D+01  0.797347D+00  0.216645D+01  0.310484D+01 -0.682548D+01
      2  -0.181073D+01  0.327696D+01  0.128932D+01  0.130543D+01 -0.148647D+02
      3  -0.713241D+00  0.203092D+01  0.178817D+01  0.300741D+01 -0.406673D+01
                91            92            93            94            95 
      1  -0.206486D+01  0.675496D+00 -0.130426D+01  0.938078D+00 -0.489667D+00
      2   0.510740D+01 -0.988244D+00  0.663327D+01 -0.205753D+01  0.127569D+01
      3   0.102944D+02 -0.527963D+01  0.378371D+01 -0.524924D+01  0.230541D+01
                96            97            98            99           100 
      1   0.383390D-01 -0.113817D+01  0.185019D+01 -0.916254D+00  0.215478D+00
      2  -0.352505D+01  0.384599D+01 -0.150753D+01  0.441992D+01  0.428059D+00
      3  -0.261437D+01  0.490437D+01 -0.327783D+01  0.380005D+01 -0.327990D+00
               101           102           103           104           105 
      1  -0.111326D+00 -0.907257D+00  0.869856D+00 -0.339757D+00 -0.423578D+01
      2   0.108402D+00  0.162621D+01 -0.196826D+01 -0.146827D+01  0.318301D+01
      3  -0.190537D+01  0.216500D+00 -0.401984D+01 -0.224945D+02 -0.785307D+00
               106           107           108           109           110 
      1  -0.120999D+01 -0.784222D+00  0.603859D+00  0.926738D+00  0.118021D+00
      2   0.758349D+00  0.210872D+01 -0.607892D+00 -0.189251D+01 -0.449719D+00
      3   0.466846D+00 -0.113292D+01 -0.100814D+01  0.141222D+01 -0.116690D+01
               111           112           113           114           115 
      1  -0.110364D+01  0.455725D+00  0.162213D+01  0.796516D+00 -0.216595D+01
      2   0.298059D+01 -0.916779D+00 -0.180989D+01 -0.327534D+01  0.128843D+01
      3  -0.928466D+00 -0.632461D+00  0.712339D+00  0.202976D+01 -0.178786D+01
               116           117 
      1   0.310448D+01  0.682638D+01
      2  -0.130406D+01 -0.148668D+02
      3   0.300650D+01  0.406491D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153140D+01 -0.620166D+01  0.302986D+01 -0.150423D+01  0.105259D+02
      2  -0.252367D+01  0.880896D+01 -0.544529D+01  0.407071D+01 -0.542518D+01
      3   0.992274D+00 -0.260730D+01  0.241544D+01 -0.256648D+01 -0.510070D+01
      4  -0.316958D+01  0.836419D+00 -0.152713D+01 -0.800216D+00 -0.218450D+01
      5   0.474012D+01 -0.163129D+01 -0.256696D+00  0.194353D+00 -0.349160D+01
      6  -0.136064D+01 -0.239661D+01  0.312558D+01  0.153351D+00  0.529154D+01
                 6             7             8             9            10 
      1  -0.646953D+01  0.120651D+01 -0.454185D+01  0.858355D+01  0.153347D+01
      2   0.493569D+01 -0.208700D+01  0.248415D+01 -0.507053D+00 -0.252567D+01
      3   0.153384D+01  0.880487D+00  0.205771D+01 -0.807650D+01  0.992201D+00
      4   0.564678D+00  0.245021D+00 -0.152622D+01 -0.303278D+01  0.316957D+01
      5   0.792138D+01  0.539121D+01  0.427016D+00 -0.737157D+01  0.473991D+01
      6  -0.100834D+02 -0.242323D+01 -0.701419D+00  0.741437D+01  0.136095D+01
                11            12            13            14            15 
      1   0.620279D+01  0.303031D+01  0.150516D+01  0.105283D+02  0.646998D+01
      2  -0.880935D+01 -0.544589D+01 -0.407089D+01 -0.542672D+01 -0.493578D+01
      3   0.260655D+01  0.241558D+01  0.256573D+01 -0.510162D+01 -0.153420D+01
      4   0.836683D+00  0.152692D+01 -0.799975D+00  0.218501D+01  0.565358D+00
      5   0.163218D+01 -0.256313D+00 -0.193357D+00 -0.348958D+01 -0.792112D+01
      6  -0.239620D+01 -0.312560D+01  0.153991D+00 -0.529117D+01 -0.100837D+02
                16            17            18            19            20 
      1   0.120635D+01  0.454136D+01  0.858238D+01  0.634036D+01 -0.312710D-03
      2  -0.208690D+01 -0.248363D+01 -0.506452D+00  0.586076D+01  0.200880D-03
      3   0.880557D+00 -0.205773D+01 -0.807593D+01 -0.122011D+02  0.111830D-03
      4  -0.244966D+00 -0.152570D+01  0.303339D+01  0.630028D-04  0.346893D+02
      5   0.538983D+01 -0.426779D+00 -0.737209D+01 -0.228321D+01 -0.225659D-03
      6   0.242338D+01 -0.701360D+00 -0.741504D+01 -0.179023D-03  0.919121D+01
                21            22            23            24            25 
      1  -0.715690D+01 -0.577725D-03 -0.532224D+02 -0.334245D-03 -0.210017D+01
      2   0.843536D+01  0.376309D-03  0.785380D+02  0.383973D-03  0.731174D+01
      3  -0.127846D+01  0.201416D-03 -0.253156D+02 -0.497280D-04 -0.521157D+01
      4   0.523724D-04  0.243360D+02  0.835502D-05  0.168216D+00 -0.125087D-03
      5   0.179311D+02 -0.542153D-03  0.530230D+01 -0.313991D-04  0.148826D+02
      6  -0.249534D-04  0.227923D+01 -0.159081D-03  0.328375D+02 -0.740551D-04
                26            27            28            29            30 
      1  -0.280538D-03 -0.223214D+02 -0.134648D+02 -0.112033D+02 -0.156448D+02
      2   0.291382D-03  0.108547D+01  0.103325D+02  0.947526D+01  0.930709D+01
      3  -0.108439D-04  0.212360D+02  0.313231D+01  0.172807D+01  0.633774D+01
      4   0.351824D+01 -0.195801D-03 -0.975070D+01 -0.240754D+01 -0.234845D+00
      5  -0.362202D-03 -0.235152D+01 -0.192146D+02 -0.179437D+01 -0.857467D+01
      6   0.334704D+02 -0.382584D-04  0.310726D+01 -0.527897D+00  0.187875D+01
                31            32            33            34            35 
      1  -0.173345D+02  0.372356D+01 -0.617199D+01 -0.187628D+02 -0.251469D+01
      2   0.187630D+02 -0.208789D+02  0.259087D+01  0.855247D+01  0.163915D+01
      3  -0.142851D+01  0.171554D+02  0.358111D+01  0.102103D+02  0.875538D+00
      4  -0.132966D+02  0.323550D+02 -0.245992D+01 -0.534439D-01 -0.327625D+01
      5  -0.322547D+01 -0.298749D+01 -0.118305D+02 -0.124570D+02 -0.750601D+01
      6  -0.266300D+00  0.164283D+01  0.322899D+01  0.164893D+01  0.391092D+01
                36            37            38            39            40 
      1  -0.902057D+01 -0.134687D+02  0.112051D+02 -0.156440D+02  0.173381D+02
      2   0.138416D+02  0.103343D+02 -0.947794D+01  0.930676D+01 -0.187661D+02
      3  -0.482100D+01  0.313437D+01 -0.172720D+01  0.633719D+01  0.142793D+01
      4  -0.641199D+01  0.975273D+01 -0.241125D+01  0.236615D+00 -0.133016D+02
      5   0.180609D+02 -0.192128D+02  0.179477D+01 -0.857010D+01  0.322536D+01
      6  -0.668653D+01 -0.310674D+01 -0.528409D+00 -0.187776D+01 -0.269209D+00
                41            42            43            44            45 
      1   0.371681D+01  0.617565D+01 -0.187612D+02  0.251738D+01 -0.901316D+01
      2  -0.208748D+02 -0.259681D+01  0.855025D+01 -0.164569D+01  0.138376D+02
      3   0.171580D+02 -0.357884D+01  0.102109D+02 -0.871685D+00 -0.482441D+01
      4  -0.323553D+02 -0.246706D+01  0.536829D-01 -0.328380D+01  0.640937D+01
      5  -0.299592D+01  0.118266D+02 -0.124510D+02  0.750293D+01  0.180675D+02
      6  -0.164936D+01  0.322812D+01 -0.164863D+01  0.390981D+01  0.669038D+01
                46            47            48            49            50 
      1   0.103143D+01 -0.164929D+01  0.296541D+01 -0.106392D+01 -0.656157D+01
      2  -0.285656D+01  0.402232D+00 -0.404333D+00  0.112423D+01  0.180638D+01
      3   0.182513D+01  0.124706D+01 -0.256108D+01 -0.603141D-01  0.475519D+01
      4  -0.608543D+00  0.341188D+01 -0.220967D+01  0.319707D+01 -0.433241D+00
      5   0.247233D+00 -0.202960D+01  0.533826D+01 -0.168750D+01  0.222477D+01
      6  -0.202220D+01 -0.204437D+01  0.112461D+01 -0.479955D+00 -0.635428D+01
                51            52            53            54            55 
      1   0.496109D+01  0.184088D+01  0.585324D+01 -0.175124D+02  0.103164D+01
      2  -0.713004D+00 -0.179872D+01  0.332613D+01 -0.102878D+02 -0.285649D+01
      3  -0.424809D+01 -0.421550D-01 -0.917937D+01  0.278002D+02  0.182485D+01
      4   0.432854D+00 -0.314297D+01  0.117099D+01  0.491254D+00  0.608391D+00
      5  -0.262972D+01  0.317468D+01 -0.331555D+01  0.839447D+01  0.247376D+00
      6   0.113848D+02 -0.226765D+00  0.877189D+01 -0.153420D+02  0.202233D+01
                56            57            58            59            60 
      1   0.164936D+01  0.296559D+01  0.106395D+01 -0.656170D+01 -0.496126D+01
      2  -0.402340D+00 -0.404321D+00 -0.112464D+01  0.180617D+01  0.713062D+00
      3  -0.124702D+01 -0.256127D+01  0.606943D-01  0.475554D+01  0.424820D+01
      4   0.341187D+01  0.220977D+01  0.319681D+01  0.432951D+00  0.432770D+00
      5   0.202967D+01  0.533811D+01  0.168715D+01  0.222457D+01  0.262996D+01
      6  -0.204447D+01 -0.112478D+01 -0.479976D+00  0.635441D+01  0.113850D+02
                61            62            63            64            65 
      1   0.184072D+01 -0.585308D+01 -0.175121D+02  0.479275D+02  0.662181D+01
      2  -0.179847D+01 -0.332622D+01 -0.102880D+02 -0.287907D+02 -0.537629D+01
      3  -0.422565D-01  0.917930D+01  0.278001D+02 -0.191368D+02 -0.124552D+01
      4   0.314313D+01  0.117111D+01 -0.491457D+00  0.157603D+01  0.707279D+01
      5   0.317481D+01  0.331548D+01  0.839420D+01  0.177031D+02  0.241336D+01
      6   0.226619D+00  0.877191D+01  0.153424D+02 -0.175953D+01  0.234370D+00
                66            67            68            69            70 
      1   0.146679D+02  0.171236D+02  0.538436D+01  0.468232D+01  0.200331D+02
      2  -0.954004D+01 -0.113110D+02 -0.931324D+00 -0.359811D+01 -0.137346D+02
      3  -0.512785D+01 -0.581267D+01 -0.445304D+01 -0.108421D+01 -0.629847D+01
      4   0.114766D+01  0.101054D+02  0.246296D+01  0.426146D+01 -0.203599D+00
      5   0.135466D+02  0.596792D+01  0.410801D+01  0.678961D+01  0.168717D+02
      6  -0.225587D+01  0.785068D+00  0.855350D+00  0.748158D+00 -0.141193D+01
                71            72            73            74            75 
      1   0.152542D+01  0.100109D+02  0.611804D+01 -0.528033D+01  0.218302D+01
      2  -0.215689D+01 -0.107309D+02  0.725880D+00 -0.480257D+00 -0.115360D+01
      3   0.631467D+00  0.719977D+00 -0.684392D+01  0.576058D+01 -0.102942D+01
      4   0.499851D+01  0.225780D+01 -0.901301D+01  0.119184D+02  0.145785D+00
      5   0.298629D+01  0.118627D+02  0.189730D+01  0.222076D+00  0.263811D+01
      6   0.123028D+01 -0.578663D+00 -0.127502D+00 -0.114032D+00 -0.932974D+00
                76            77            78            79            80 
      1  -0.623761D+01 -0.123860D+02  0.125904D+01  0.373765D+01  0.169201D+00
      2  -0.703777D+01  0.383208D+02 -0.166812D+01 -0.192278D+01 -0.936687D+00
      3   0.132754D+02 -0.259348D+02  0.409080D+00 -0.181486D+01  0.767485D+00
      4   0.248767D+02 -0.470360D+02  0.760672D+00 -0.105575D+01  0.206687D+01
      5   0.914928D+00  0.758375D+00 -0.532912D+01  0.505169D+01 -0.546518D+01
      6  -0.575094D+00  0.398105D+00  0.690234D+01 -0.326244D+01  0.757317D+01
                81            82            83            84            85 
      1  -0.592790D+00  0.591067D+01  0.191581D+01 -0.362463D+01  0.563619D+01
      2   0.171903D+01 -0.592987D+01 -0.153929D+01  0.301939D+01 -0.460319D+01
      3  -0.112624D+01  0.192016D-01 -0.376520D+00  0.605250D+00 -0.103300D+01
      4  -0.454914D+01  0.146864D+01  0.167965D+01  0.139150D+00  0.291843D+01
      5  -0.459281D+00 -0.423268D+01 -0.415794D+00  0.892633D+01 -0.209413D+01
      6  -0.270574D+00  0.362462D+00  0.252964D+00 -0.107641D+01 -0.758069D+00
                86            87            88            89            90 
      1  -0.646723D+00 -0.364826D-01 -0.700467D+01  0.151885D+00 -0.697097D+00
      2   0.981680D+00  0.281786D+01  0.733575D+01  0.215726D+01 -0.149666D+02
      3  -0.334957D+00 -0.278138D+01 -0.331074D+00 -0.230914D+01  0.156637D+02
      4  -0.639087D+00 -0.364520D+01  0.269110D+01 -0.519307D+01  0.233715D+01
      5  -0.326372D+01  0.664621D+01  0.136953D+02  0.196712D+01 -0.293126D+02
      6  -0.536019D+00  0.198414D+01 -0.242322D+01  0.233614D+01  0.794379D+01
                91            92            93            94            95 
      1   0.479297D+02 -0.662521D+01  0.146655D+02 -0.171292D+02  0.538685D+01
      2  -0.287918D+02  0.537837D+01 -0.953845D+01  0.113142D+02 -0.932510D+00
      3  -0.191379D+02  0.124684D+01 -0.512704D+01  0.581502D+01 -0.445434D+01
      4  -0.158072D+01  0.707382D+01 -0.114911D+01  0.101076D+02 -0.246561D+01
      5   0.176992D+02 -0.241437D+01  0.135436D+02 -0.596851D+01  0.410881D+01
      6   0.175834D+01  0.234025D+00  0.225494D+01  0.785092D+00 -0.854900D+00
                96            97            98            99           100 
      1  -0.468344D+01  0.200297D+02 -0.152620D+01  0.100087D+02  0.612025D+01
      2   0.359907D+01 -0.137319D+02  0.215784D+01 -0.107286D+02  0.725173D+00
      3   0.108437D+01 -0.629776D+01 -0.631636D+00  0.719876D+00 -0.684543D+01
      4   0.426223D+01  0.201833D+00  0.499852D+01 -0.225889D+01  0.901522D+01
      5  -0.679027D+01  0.168681D+02 -0.298692D+01  0.118576D+02  0.189826D+01
      6   0.747886D+00  0.141055D+01  0.123014D+01  0.576832D+00  0.128587D+00
               101           102           103           104           105 
      1   0.528052D+01  0.218366D+01  0.623771D+01 -0.123822D+02 -0.126084D+01
      2   0.481570D+00 -0.115356D+01  0.703871D+01  0.383178D+02  0.167143D+01
      3  -0.576209D+01 -0.103010D+01 -0.132764D+02 -0.259356D+02 -0.410588D+00
      4   0.119210D+02 -0.144543D+00  0.248791D+02  0.470369D+02  0.765374D+00
      5  -0.220818D+00  0.263807D+01 -0.912621D+00  0.763674D+00  0.532985D+01
      6  -0.113483D+00  0.933343D+00 -0.572694D+00 -0.391905D+00  0.690237D+01
               106           107           108           109           110 
      1   0.373918D+01 -0.170505D+00 -0.593291D+00  0.590858D+01 -0.191533D+01
      2  -0.192294D+01  0.940076D+00  0.171935D+01 -0.592858D+01  0.153888D+01
      3  -0.181625D+01 -0.769571D+00 -0.112605D+01  0.200012D-01  0.376449D+00
      4   0.105897D+01  0.207311D+01  0.454988D+01 -0.146812D+01  0.167956D+01
      5   0.505133D+01  0.546591D+01 -0.457386D+00 -0.423165D+01  0.414553D+00
      6   0.326277D+01  0.757327D+01  0.273032D+00 -0.363136D+00  0.252894D+00
               111           112           113           114           115 
      1  -0.362412D+01 -0.563470D+01 -0.646882D+00  0.357072D-01 -0.700367D+01
      2   0.301849D+01  0.460224D+01  0.981934D+00 -0.281636D+01  0.733473D+01
      3   0.605626D+00  0.103245D+01 -0.335052D+00  0.278066D+01 -0.331059D+00
      4  -0.140508D+00  0.291843D+01  0.640894D+00 -0.364383D+01 -0.269289D+01
      5   0.892494D+01  0.209242D+01 -0.326220D+01 -0.664283D+01  0.136939D+02
      6   0.107620D+01 -0.757830D+00  0.535701D+00  0.198519D+01  0.242402D+01
               116           117 
      1  -0.151977D+00 -0.700934D+00
      2  -0.215586D+01 -0.149658D+02
      3   0.230783D+01  0.156667D+02
      4  -0.519230D+01 -0.233439D+01
      5  -0.196399D+01 -0.293153D+02
      6   0.233734D+01 -0.794777D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:14:12 2021, MaxMem=  5637144576 cpu:            1747.0 elap:             219.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.83793 -10.23092 -10.23068 -10.19182 -10.19181
 Alpha  occ. eigenvalues --   -7.92846  -5.89801  -5.89443  -5.88728  -0.87410
 Alpha  occ. eigenvalues --   -0.74187  -0.70442  -0.59145  -0.57931  -0.47270
 Alpha  occ. eigenvalues --   -0.46569  -0.42831  -0.42254  -0.39487  -0.39238
 Alpha  occ. eigenvalues --   -0.37070  -0.30559  -0.30041  -0.22851
 Alpha virt. eigenvalues --   -0.00377   0.01809   0.02924   0.03623   0.03969
 Alpha virt. eigenvalues --    0.07029   0.08303   0.08333   0.09382   0.09590
 Alpha virt. eigenvalues --    0.10322   0.11249   0.12062   0.12601   0.14198
 Alpha virt. eigenvalues --    0.14339   0.16527   0.16670   0.17227   0.19329
 Alpha virt. eigenvalues --    0.19599   0.21207   0.21318   0.25640   0.26298
 Alpha virt. eigenvalues --    0.26650   0.27385   0.28535   0.29594   0.29862
 Alpha virt. eigenvalues --    0.31638   0.31787   0.32342   0.33086   0.33405
 Alpha virt. eigenvalues --    0.34866   0.34903   0.35561   0.35741   0.36172
 Alpha virt. eigenvalues --    0.36711   0.38065   0.38660   0.38966   0.39539
 Alpha virt. eigenvalues --    0.41007   0.41804   0.41995   0.43672   0.44133
 Alpha virt. eigenvalues --    0.46264   0.46725   0.47635   0.48172   0.48851
 Alpha virt. eigenvalues --    0.49441   0.50149   0.51568   0.51765   0.52724
 Alpha virt. eigenvalues --    0.53384   0.53766   0.54504   0.56880   0.58018
 Alpha virt. eigenvalues --    0.60086   0.60182   0.62138   0.67853   0.68294
 Alpha virt. eigenvalues --    0.77132   0.84064   0.84079   0.86119   0.86228
 Alpha virt. eigenvalues --    0.88957   0.90348   0.91950   0.91985   0.93676
 Alpha virt. eigenvalues --    0.94126   0.96537   0.99735   1.00702   1.01789
 Alpha virt. eigenvalues --    1.02227   1.03631   1.05350   1.06306   1.10922
 Alpha virt. eigenvalues --    1.12585   1.16989   1.18985   1.21154   1.23905
 Alpha virt. eigenvalues --    1.24793   1.26956   1.30199   1.36571   1.36601
 Alpha virt. eigenvalues --    1.38895   1.41460   1.44070   1.57903   1.61618
 Alpha virt. eigenvalues --    1.61651   1.66326   1.68471   1.68550   1.71001
 Alpha virt. eigenvalues --    1.75520   1.76152   1.82478   1.90012   1.92212
 Alpha virt. eigenvalues --    1.95388   1.98211   2.00080   2.00680   2.02962
 Alpha virt. eigenvalues --    2.04959   2.07326   2.08486   2.14773   2.15261
 Alpha virt. eigenvalues --    2.23987   2.25065   2.28398   2.28825   2.34940
 Alpha virt. eigenvalues --    2.43458   2.46181   2.51066   2.56668   2.57686
 Alpha virt. eigenvalues --    2.61134   2.65233   2.67906   2.84766   2.89123
 Alpha virt. eigenvalues --    2.92400   3.05048   3.05670   3.09454   3.10196
 Alpha virt. eigenvalues --    3.12575   3.17131
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.415749  -0.828883   0.108922   0.395558  -0.087091   0.180067
     2  C   -0.828883   6.415713   0.108959  -0.087079   0.395580  -0.246781
     3  S    0.108922   0.108959  16.089345  -0.041053  -0.041054   0.020142
     4  C    0.395558  -0.087079  -0.041053   4.280895   0.008600  -0.131008
     5  C   -0.087091   0.395580  -0.041054   0.008600   4.280902  -0.082624
     6  H    0.180067  -0.246781   0.020142  -0.131008  -0.082624   1.695980
     7  H   -0.246732   0.180032   0.020133  -0.082641  -0.131026   0.135304
     8  H    0.129880   0.053022  -0.039120   0.156908  -0.001002  -0.014251
     9  H    0.031061  -0.007864   0.017687   0.258033   0.007162  -0.056293
    10  H    0.172497  -0.086586   0.029822   0.290139   0.003079   0.017643
    11  H    0.053010   0.129886  -0.039122  -0.001002   0.156919  -0.001389
    12  H   -0.007860   0.031084   0.017683   0.007162   0.258023  -0.008489
    13  H   -0.086589   0.172494   0.029830   0.003080   0.290131  -0.030717
               7          8          9         10         11         12
     1  C   -0.246732   0.129880   0.031061   0.172497   0.053010  -0.007860
     2  C    0.180032   0.053022  -0.007864  -0.086586   0.129886   0.031084
     3  S    0.020133  -0.039120   0.017687   0.029822  -0.039122   0.017683
     4  C   -0.082641   0.156908   0.258033   0.290139  -0.001002   0.007162
     5  C   -0.131026  -0.001002   0.007162   0.003079   0.156919   0.258023
     6  H    0.135304  -0.014251  -0.056293   0.017643  -0.001389  -0.008489
     7  H    1.696061  -0.001390  -0.008490  -0.030722  -0.014242  -0.056332
     8  H   -0.001390   0.731831   0.012259  -0.009446  -0.000117  -0.000264
     9  H   -0.008490   0.012259   0.697485   0.026860  -0.000264   0.000093
    10  H   -0.030722  -0.009446   0.026860   0.683447   0.000321   0.000636
    11  H   -0.014242  -0.000117  -0.000264   0.000321   0.731787   0.012262
    12  H   -0.056332  -0.000264   0.000093   0.000636   0.012262   0.697516
    13  H    0.017646   0.000321   0.000636  -0.000548  -0.009430   0.026853
              13
     1  C   -0.086589
     2  C    0.172494
     3  S    0.029830
     4  C    0.003080
     5  C    0.290131
     6  H   -0.030717
     7  H    0.017646
     8  H    0.000321
     9  H    0.000636
    10  H   -0.000548
    11  H   -0.009430
    12  H    0.026853
    13  H    0.683449
 Mulliken charges:
               1
     1  C   -0.229591
     2  C   -0.229578
     3  S   -0.282174
     4  C    0.942409
     5  C    0.942401
     6  H   -0.477583
     7  H   -0.477601
     8  H   -0.018631
     9  H    0.021633
    10  H   -0.097142
    11  H   -0.018620
    12  H    0.021631
    13  H   -0.097155
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.707173
     2  C   -0.707179
     3  S   -0.282174
     4  C    0.848270
     5  C    0.848257
 Electronic spatial extent (au):  <R**2>=            578.7242
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -2.2753    Z=             -0.0000  Tot=              2.2753
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -38.2592   YY=            -41.7281   ZZ=            -39.4030
   XY=              0.0000   XZ=              1.1956   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5376   YY=             -1.9313   ZZ=              0.3937
   XY=              0.0000   XZ=              1.1956   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -2.5366  ZZZ=              0.0002  XYY=             -0.0002
  XXY=             -0.8921  XXZ=              0.0000  XZZ=              0.0002  YZZ=             -2.5616
  YYZ=             -0.0003  XYZ=              1.4093
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -449.6391 YYYY=           -268.6372 ZZZZ=            -90.0891 XXXY=             -0.0003
 XXXZ=              6.0900 YYYX=              0.0003 YYYZ=              0.0008 ZZZX=              0.7890
 ZZZY=             -0.0003 XXYY=           -123.8161 XXZZ=            -89.9805 YYZZ=            -65.9954
 XXYZ=             -0.0003 YYXZ=              3.7047 ZZXY=              0.0003
 N-N= 2.267409910414D+02 E-N=-1.761933378802D+03  KE= 5.521818070281D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:14:13 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.67430693D-06-8.57372714D-01 9.30935562D-08
 Polarizability= 7.13328262D+01-2.51586110D-05 7.29207391D+01
                 1.90754977D+00 1.52007075D-04 5.43334485D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0009    0.0012       -0.0000   -0.0000
 2     -0.0009   -0.0012       -0.0001   -0.0001        0.6869    0.6877
 3      0.0000    0.0000        8.5867    8.5849        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0000    0.0000
 5     -9.2736   -9.2726       -0.0000   -0.0000        0.0008    0.0012
 6     -0.0001   -0.0001       -0.0008   -0.0012       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0036   -0.0036       -0.0000   -0.0000
 2      0.0002    0.0002       -0.0000    0.0000       -0.0000   -0.0000
 3      0.0002    0.0002       -0.0036   -0.0036       -0.0000    0.0000
 4     -0.0036   -0.0036       -0.0002   -0.0002        2.0630    2.0630
 5      0.0000    0.0000       25.7547   25.7547        0.0002    0.0002
 6    -27.8177  -27.8177       -0.0000   -0.0000        0.0036    0.0036
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0373   -0.0048        0.0001    0.0000
 2     -0.1953    0.0048        0.0002    0.0003       -2.4908   -2.7506
 3      0.0000   -0.0000      -34.4330  -34.3396       -0.0002   -0.0003
 4     -0.0003   -0.0003        0.0299    0.0000       -0.0000   -0.0000
 5     37.2132   37.0902        0.0001    0.0000        0.0219   -0.0048
 6      0.0002    0.0003        0.0412    0.0048        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        3.2276    3.1172       -0.0004   -0.0004
 2     -3.2984   -3.1172       -0.0004   -0.0003      -10.6440  -10.7787
 3      0.0004    0.0004        0.4179    0.4396        0.0003    0.0003
 4      0.0003    0.0003       -0.0071    0.0000        0.0004    0.0004
 5     10.1369   10.3390       -0.0004   -0.0004        3.1855    3.1172
 6     -0.0003   -0.0003       -3.1947   -3.1172       -0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0019   -0.0020       33.0259   33.2149        0.0030    0.0030
 2     -0.0024   -0.0024       47.6319   47.6848        0.0030    0.0030
 3     -0.0023   -0.0024       33.0759   33.2149        0.0024    0.0024
 4    -14.5368  -14.4698        0.0004    0.0004       10.0994   10.1604
 5     -0.0006   -0.0006       -7.8880   -7.7724       -0.0005   -0.0004
 6     -2.4655   -2.3880        0.0006    0.0006       14.4055   14.4698
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0016   -1.1227   -0.0009    0.0003    0.0019    3.6006
 Low frequencies ---  209.1279  224.7636  237.1799
 Diagonal vibrational polarizability:
        1.3601567       3.4058184       0.7297063
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    209.1277               224.7631               237.1799
 Red. masses --      1.3772                 1.0856                 1.5655
 Frc consts  --      0.0355                 0.0323                 0.0519
 IR Inten    --      0.3954                 0.0473                 0.7830
 RamAct Fr= 1--      0.9796                 0.0738                 0.8136
  Dep-P Fr= 1--      0.7480                 0.7500                 0.5301
  Dep-U Fr= 1--      0.8558                 0.8571                 0.6929
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.1397                 0.0105                 0.0940
 AlphaG Fr= 1--      0.0002                 0.0000                -0.0182
 Gamma2 Fr= 1--      0.7056                -0.1094                -0.2905
 Delta2 Fr= 1--     -0.4415                 0.0849                 0.1963
 Raman1 Fr= 1--       3.919                  0.295                  3.254
 ROA1   Fr= 1--      53.604                 -7.784                -21.601
 CID1   Fr= 1--      13.679                -26.384                 -6.638
 Raman2 Fr= 1--       1.677                  0.126                  1.127
 ROA2   Fr= 1--      20.466                 -3.304                 -8.541
 CID2   Fr= 1--      12.205                -26.129                 -7.576
 Raman3 Fr= 1--       3.354                  0.253                  2.255
 ROA3   Fr= 1--      53.604                 -7.784                -21.601
 CID3   Fr= 1--      15.984                -30.781                 -9.579
 RC180  Fr= 1--       0.712                  0.714                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.00    -0.00  -0.00   0.01    -0.00  -0.06   0.01
     2   6    -0.01  -0.05   0.00    -0.00   0.00   0.01     0.00  -0.06  -0.01
     3  16     0.00  -0.05   0.00     0.02   0.00   0.03    -0.00  -0.07   0.00
     4   6     0.05   0.09   0.01    -0.02   0.00  -0.04     0.05   0.11  -0.01
     5   6    -0.05   0.09  -0.01    -0.02  -0.00  -0.04    -0.05   0.11   0.01
     6   1     0.02  -0.05   0.00     0.03  -0.00   0.02     0.01  -0.10  -0.00
     7   1    -0.02  -0.05  -0.00     0.03   0.00   0.02    -0.01  -0.10   0.00
     8   1    -0.00   0.44  -0.18     0.01   0.31  -0.32    -0.02  -0.05   0.22
     9   1     0.32   0.13   0.30     0.14   0.04   0.31     0.08   0.09  -0.38
    10   1    -0.10  -0.17  -0.08    -0.22  -0.33  -0.16     0.15   0.48   0.10
    11   1     0.00   0.44   0.18     0.01  -0.31  -0.32     0.02  -0.05  -0.22
    12   1    -0.32   0.13  -0.30     0.14  -0.04   0.31    -0.08   0.09   0.38
    13   1     0.09  -0.17   0.08    -0.22   0.33  -0.16    -0.15   0.48  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    298.6248               336.0273               444.9399
 Red. masses --      2.2151                 3.9331                 2.8344
 Frc consts  --      0.1164                 0.2617                 0.3306
 IR Inten    --      0.1657                 1.7124                 0.2554
 RamAct Fr= 1--      0.0501                 3.7125                 5.5467
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0442
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0846
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1111
 Beta2  Fr= 1--      0.0072                 0.5304                 0.0782
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0247
 Gamma2 Fr= 1--     -0.1945                -0.5670                 0.0840
 Delta2 Fr= 1--     -0.0156                -0.0060                -0.0242
 Raman1 Fr= 1--       0.201                 14.850                 22.187
 ROA1   Fr= 1--     -19.175                -54.624                  7.293
 CID1   Fr= 1--     -95.591                 -3.678                  0.329
 Raman2 Fr= 1--       0.086                  6.364                  0.939
 ROA2   Fr= 1--      -4.544                -13.559                  2.211
 CID2   Fr= 1--     -52.856                 -2.131                  2.355
 Raman3 Fr= 1--       0.172                 12.729                  1.878
 ROA3   Fr= 1--     -19.175                -54.624                  7.293
 CID3   Fr= 1--    -111.523                 -4.291                  3.884
 RC180  Fr= 1--       0.714                  0.714                 -0.831
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.07   0.17    -0.15  -0.03   0.03     0.12   0.02  -0.12
     2   6     0.07  -0.07   0.17    -0.15   0.03   0.03    -0.12   0.02   0.12
     3  16     0.00  -0.00  -0.02     0.21  -0.00  -0.03    -0.00   0.04   0.00
     4   6    -0.06   0.01  -0.11    -0.10   0.19   0.01     0.21  -0.07   0.02
     5   6    -0.06  -0.01  -0.11    -0.10  -0.19   0.01    -0.21  -0.07  -0.02
     6   1     0.20   0.18   0.22    -0.15  -0.04   0.03     0.25   0.14  -0.07
     7   1     0.20  -0.18   0.22    -0.15   0.04   0.03    -0.25   0.14   0.07
     8   1     0.12  -0.18  -0.22    -0.21   0.28   0.09     0.09  -0.08   0.20
     9   1    -0.18  -0.02  -0.31     0.13   0.20  -0.15     0.16  -0.07   0.09
    10   1    -0.26   0.16  -0.09    -0.15   0.39   0.06     0.47  -0.11   0.03
    11   1     0.12   0.18  -0.22    -0.21  -0.28   0.09    -0.09  -0.08  -0.20
    12   1    -0.18   0.02  -0.31     0.13  -0.20  -0.15    -0.16  -0.07  -0.09
    13   1    -0.26  -0.16  -0.09    -0.15  -0.39   0.06    -0.47  -0.11  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    599.4854               616.5952               839.6924
 Red. masses --      7.5805                 4.0588                 2.0572
 Frc consts  --      1.6051                 0.9092                 0.8546
 IR Inten    --     25.6985                 2.5850                 1.5768
 RamAct Fr= 1--     27.7323                17.6265                 8.5910
  Dep-P Fr= 1--      0.1476                 0.7500                 0.1950
  Dep-U Fr= 1--      0.2573                 0.8571                 0.3263
 Alpha2 Fr= 1--      0.4313                 0.0000                 0.1182
 Beta2  Fr= 1--      1.1892                 2.5181                 0.4673
 AlphaG Fr= 1--      0.2705                 0.0000                 0.0047
 Gamma2 Fr= 1--      3.2430                -5.3760                -2.4549
 Delta2 Fr= 1--     -0.1456                -1.0176                 0.5969
 Raman1 Fr= 1--     110.929                 70.506                 34.364
 ROA1   Fr= 1--     306.666               -548.665               -216.568
 CID1   Fr= 1--       2.765                 -7.782                 -6.302
 Raman2 Fr= 1--      14.270                 30.217                  5.607
 ROA2   Fr= 1--      78.996               -120.884                -63.692
 CID2   Fr= 1--       5.536                 -4.001                -11.359
 Raman3 Fr= 1--      28.540                 60.434                 11.214
 ROA3   Fr= 1--     306.666               -548.665               -216.568
 CID3   Fr= 1--      10.745                 -9.079                -19.312
 RC180  Fr= 1--      -0.485                  0.714                 -0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.37  -0.04     0.00   0.31  -0.13    -0.02  -0.02  -0.16
     2   6     0.12  -0.37   0.04     0.00  -0.31  -0.13     0.02  -0.02   0.16
     3  16     0.00   0.32   0.00     0.07  -0.00   0.09    -0.00  -0.03  -0.00
     4   6    -0.00  -0.05  -0.02    -0.07   0.05   0.01    -0.14   0.04  -0.01
     5   6     0.00  -0.05   0.02    -0.07  -0.05   0.01     0.14   0.04   0.01
     6   1    -0.09  -0.24  -0.01     0.04   0.24  -0.14     0.18   0.05  -0.11
     7   1     0.09  -0.24   0.01     0.04  -0.24  -0.14    -0.18   0.05   0.11
     8   1    -0.19   0.17   0.07    -0.01  -0.12   0.06    -0.40   0.11   0.31
     9   1     0.35  -0.03  -0.13    -0.43   0.03   0.20    -0.14   0.06   0.22
    10   1    -0.05   0.11   0.02     0.15  -0.16  -0.03     0.27  -0.06   0.01
    11   1     0.19   0.17  -0.07    -0.01   0.12   0.06     0.40   0.11  -0.31
    12   1    -0.35  -0.03   0.13    -0.43  -0.03   0.20     0.14   0.06  -0.22
    13   1     0.05   0.11  -0.02     0.15   0.16  -0.03    -0.27  -0.06  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    970.5395               996.2112              1007.6387
 Red. masses --      1.1475                 1.1191                 1.4723
 Frc consts  --      0.6368                 0.6544                 0.8808
 IR Inten    --      7.0527                 1.4604                 6.8214
 RamAct Fr= 1--      1.1374                 2.1527                 4.9410
  Dep-P Fr= 1--      0.7500                 0.1715                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2928                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0315                 0.0000
 Beta2  Fr= 1--      0.1625                 0.1050                 0.7059
 AlphaG Fr= 1--     -0.0000                 0.0864                 0.0000
 Gamma2 Fr= 1--      0.7455                -1.2543                -1.9916
 Delta2 Fr= 1--      0.0489                -1.1516                 1.3865
 Raman1 Fr= 1--       4.550                  8.611                 19.764
 ROA1   Fr= 1--      73.130               -157.267               -146.829
 CID1   Fr= 1--      16.074                -18.264                 -7.429
 Raman2 Fr= 1--       1.950                  1.260                  8.470
 ROA2   Fr= 1--      17.500                -20.892                -58.891
 CID2   Fr= 1--       8.975                -16.575                 -6.953
 Raman3 Fr= 1--       3.900                  2.521                 16.940
 ROA3   Fr= 1--      73.130               -157.267               -146.829
 CID3   Fr= 1--      18.753                -62.387                 -8.667
 RC180  Fr= 1--       0.714                 -0.414                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.00     0.01  -0.00  -0.03     0.07  -0.07   0.02
     2   6    -0.03  -0.00  -0.00    -0.01  -0.00   0.03     0.07   0.07   0.02
     3  16    -0.00  -0.00   0.02     0.00  -0.01   0.00    -0.00  -0.00  -0.01
     4   6    -0.00  -0.05  -0.05    -0.03  -0.05   0.03    -0.08   0.06  -0.04
     5   6    -0.00   0.05  -0.05     0.03  -0.05  -0.03    -0.08  -0.06  -0.04
     6   1     0.24   0.45   0.14     0.03   0.55   0.10     0.35  -0.21   0.04
     7   1     0.24  -0.45   0.14    -0.03   0.55  -0.10     0.35   0.21   0.04
     8   1    -0.24   0.14   0.15    -0.09   0.14  -0.03    -0.20  -0.04   0.21
     9   1     0.27  -0.02  -0.01     0.26  -0.03  -0.15    -0.25   0.06   0.25
    10   1     0.20   0.05   0.01    -0.18   0.17   0.07     0.27  -0.15  -0.05
    11   1    -0.24  -0.14   0.15     0.09   0.14   0.03    -0.20   0.04   0.21
    12   1     0.27   0.02  -0.01    -0.26  -0.03   0.15    -0.25  -0.06   0.25
    13   1     0.20  -0.05   0.01     0.18   0.17  -0.07     0.27   0.15  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1081.2906              1084.5669              1116.4943
 Red. masses --      1.4620                 2.4386                 1.5803
 Frc consts  --      1.0071                 1.6901                 1.1607
 IR Inten    --     12.6244                 6.9021                 9.5539
 RamAct Fr= 1--      6.1591                 1.4304                 2.6920
  Dep-P Fr= 1--      0.1586                 0.7500                 0.7500
  Dep-U Fr= 1--      0.2738                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0932                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2810                 0.2043                 0.3846
 AlphaG Fr= 1--      0.0904                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.2725                -3.1079                -0.3104
 Delta2 Fr= 1--     -0.5889                -0.7560                -0.3176
 Raman1 Fr= 1--      24.636                  5.722                 10.768
 ROA1   Fr= 1--       7.314               -322.553                -39.964
 CID1   Fr= 1--       0.297                -56.373                 -3.711
 Raman2 Fr= 1--       3.373                  2.452                  4.615
 ROA2   Fr= 1--      11.252                -68.543                 -4.909
 CID2   Fr= 1--       3.336                -27.952                 -1.064
 Raman3 Fr= 1--       6.745                  4.904                  9.230
 ROA3   Fr= 1--       7.314               -322.553                -39.964
 CID3   Fr= 1--       1.084                -65.769                 -4.330
 RC180  Fr= 1--      -0.452                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02     0.14  -0.09  -0.12    -0.09  -0.08  -0.01
     2   6    -0.03  -0.09   0.02     0.14   0.09  -0.12    -0.09   0.08  -0.01
     3  16     0.00   0.00  -0.00    -0.01   0.00   0.02     0.01  -0.00   0.01
     4   6     0.01   0.09   0.05    -0.10   0.02   0.11     0.07   0.08  -0.01
     5   6    -0.01   0.09  -0.05    -0.10  -0.02   0.11     0.07  -0.08  -0.01
     6   1     0.24   0.30   0.11     0.12   0.42  -0.02     0.03   0.40   0.12
     7   1    -0.24   0.30  -0.11     0.12  -0.42  -0.02     0.03  -0.40   0.12
     8   1     0.25  -0.20  -0.09     0.00   0.06  -0.08     0.28  -0.23  -0.08
     9   1    -0.40   0.04   0.04    -0.08   0.01  -0.10    -0.31   0.04   0.05
    10   1    -0.16  -0.12  -0.03    -0.43   0.14   0.10     0.05  -0.21  -0.09
    11   1    -0.25  -0.20   0.09     0.00  -0.06  -0.08     0.28   0.23  -0.08
    12   1     0.40   0.04  -0.04    -0.07  -0.01  -0.10    -0.31  -0.04   0.05
    13   1     0.16  -0.12   0.03    -0.43  -0.14   0.10     0.05   0.21  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1181.9917              1209.2001              1333.5710
 Red. masses --      1.7776                 1.7166                 1.2358
 Frc consts  --      1.4632                 1.4788                 1.2949
 IR Inten    --      0.4644                 2.9901                 4.5762
 RamAct Fr= 1--      3.1678                14.7133                 0.8791
  Dep-P Fr= 1--      0.0439                 0.2741                 0.7500
  Dep-U Fr= 1--      0.0841                 0.4302                 0.8571
 Alpha2 Fr= 1--      0.0635                 0.1629                 0.0000
 Beta2  Fr= 1--      0.0444                 1.0550                 0.1256
 AlphaG Fr= 1--     -0.0540                -0.2186                 0.0000
 Gamma2 Fr= 1--      0.5068                -0.9938                -0.6749
 Delta2 Fr= 1--      0.0450                -0.2244                -0.0146
 Raman1 Fr= 1--      12.671                 58.853                  3.516
 ROA1   Fr= 1--      50.095               -102.588                -65.260
 CID1   Fr= 1--       3.953                 -1.743                -18.559
 Raman2 Fr= 1--       0.533                 12.660                  1.507
 ROA2   Fr= 1--      11.804                -22.057                -16.081
 CID2   Fr= 1--      22.149                 -1.742                -10.671
 Raman3 Fr= 1--       1.066                 25.320                  3.014
 ROA3   Fr= 1--      50.095               -102.588                -65.260
 CID3   Fr= 1--      47.001                 -4.052                -21.652
 RC180  Fr= 1--      -0.832                 -0.140                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02  -0.12    -0.11   0.01  -0.12    -0.07   0.02  -0.03
     2   6    -0.09   0.02   0.12     0.11   0.01   0.12    -0.07  -0.02  -0.03
     3  16     0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.03  -0.01   0.11     0.06   0.02   0.00     0.01  -0.01   0.06
     5   6     0.03  -0.01  -0.11    -0.06   0.02  -0.00     0.01   0.01   0.06
     6   1     0.04  -0.40  -0.22    -0.59   0.16  -0.18     0.60  -0.23   0.03
     7   1    -0.04  -0.40   0.22     0.59   0.16   0.18     0.60   0.23   0.03
     8   1     0.09   0.07  -0.14     0.16  -0.06  -0.09     0.14   0.02  -0.14
     9   1     0.01  -0.02  -0.15    -0.11   0.00  -0.07     0.04  -0.02  -0.15
    10   1    -0.40   0.15   0.10    -0.03  -0.08  -0.04    -0.08   0.00   0.04
    11   1    -0.09   0.07   0.14    -0.16  -0.06   0.09     0.14  -0.02  -0.14
    12   1    -0.01  -0.02   0.15     0.11   0.00   0.07     0.04   0.02  -0.15
    13   1     0.40   0.15  -0.10     0.03  -0.08   0.04    -0.08  -0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1414.1948              1414.9195              1432.2579
 Red. masses --      1.2185                 1.2506                 1.9642
 Frc consts  --      1.4358                 1.4751                 2.3739
 IR Inten    --      0.9937                 8.4806                 8.4026
 RamAct Fr= 1--      0.8042                 2.0116                 4.9305
  Dep-P Fr= 1--      0.3035                 0.7500                 0.1482
  Dep-U Fr= 1--      0.4656                 0.8571                 0.2582
 Alpha2 Fr= 1--      0.0082                 0.0000                 0.0766
 Beta2  Fr= 1--      0.0624                 0.2874                 0.2122
 AlphaG Fr= 1--     -0.0115                -0.0000                -0.0326
 Gamma2 Fr= 1--     -0.6655                 0.3679                -0.7106
 Delta2 Fr= 1--      0.0066                -0.1959                 0.3711
 Raman1 Fr= 1--       3.217                  8.046                 19.722
 ROA1   Fr= 1--     -63.678                 29.050                -56.340
 CID1   Fr= 1--     -19.797                  3.610                 -2.857
 Raman2 Fr= 1--       0.749                  3.448                  2.546
 ROA2   Fr= 1--     -16.024                 10.397                -20.023
 CID2   Fr= 1--     -21.399                  3.015                 -7.864
 Raman3 Fr= 1--       1.498                  6.897                  5.092
 ROA3   Fr= 1--     -63.678                 29.050                -56.340
 CID3   Fr= 1--     -42.517                  4.212                -11.064
 RC180  Fr= 1--      -0.069                  0.714                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.01     0.02  -0.00   0.00    -0.18   0.05  -0.03
     2   6     0.03   0.01   0.01     0.02   0.00   0.00     0.18   0.05   0.03
     3  16     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
     4   6    -0.08   0.03   0.04    -0.09   0.03   0.03     0.07  -0.03   0.03
     5   6     0.08   0.03  -0.04    -0.09  -0.04   0.03    -0.07  -0.03  -0.03
     6   1     0.10  -0.02  -0.00    -0.07   0.02  -0.01     0.56  -0.11   0.07
     7   1    -0.11  -0.02   0.00    -0.07  -0.02  -0.01    -0.56  -0.11  -0.07
     8   1     0.24  -0.18  -0.22     0.22  -0.23  -0.20    -0.03   0.18  -0.01
     9   1     0.36   0.04  -0.24     0.39   0.05  -0.16    -0.13  -0.06  -0.22
    10   1     0.32  -0.23   0.01     0.35  -0.21   0.00    -0.14  -0.07  -0.01
    11   1    -0.24  -0.18   0.22     0.22   0.23  -0.20     0.03   0.18   0.01
    12   1    -0.35   0.04   0.24     0.39  -0.05  -0.16     0.13  -0.06   0.22
    13   1    -0.31  -0.23  -0.01     0.35   0.21   0.01     0.14  -0.07   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1481.9876              1486.9626              1496.7428
 Red. masses --      1.0422                 1.0804                 1.0408
 Frc consts  --      1.3487                 1.4074                 1.3738
 IR Inten    --      9.9779                 6.0692                 9.8631
 RamAct Fr= 1--      5.8479                 3.7043                10.0470
  Dep-P Fr= 1--      0.7500                 0.7471                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8553                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.8354                 0.5280                 1.4353
 AlphaG Fr= 1--      0.0000                 0.0071                -0.0000
 Gamma2 Fr= 1--      1.0829                 3.1754                -4.5856
 Delta2 Fr= 1--      2.1333                -0.2205                -2.7995
 Raman1 Fr= 1--      23.392                 14.817                 40.188
 ROA1   Fr= 1--     172.219                297.783               -529.798
 CID1   Fr= 1--       7.362                 20.097                -13.183
 Raman2 Fr= 1--      10.025                  6.336                 17.223
 ROA2   Fr= 1--       8.923                 77.973                -87.657
 CID2   Fr= 1--       0.890                 12.306                 -5.089
 Raman3 Fr= 1--      20.050                 12.673                 34.447
 ROA3   Fr= 1--     172.219                297.783               -529.798
 CID3   Fr= 1--       8.589                 23.498                -15.380
 RC180  Fr= 1--       0.714                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.04  -0.00  -0.02     0.01  -0.01   0.01
     2   6    -0.01   0.01  -0.01     0.04  -0.00   0.02     0.01   0.01   0.01
     3  16     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.02  -0.02  -0.02    -0.02  -0.03  -0.01    -0.01  -0.03   0.02
     5   6    -0.02   0.02  -0.02     0.02  -0.03   0.01    -0.01   0.03   0.02
     6   1     0.04   0.00   0.00     0.10  -0.00   0.00    -0.06   0.03   0.01
     7   1     0.04  -0.00   0.00    -0.10  -0.00  -0.00    -0.06  -0.03   0.01
     8   1     0.18  -0.16  -0.17     0.21  -0.06  -0.27     0.02   0.38  -0.33
     9   1     0.07   0.02   0.45    -0.00   0.01   0.37    -0.30  -0.05  -0.13
    10   1     0.06   0.43   0.12     0.14   0.43   0.14     0.36   0.11   0.09
    11   1     0.18   0.16  -0.17    -0.21  -0.06   0.27     0.02  -0.37  -0.32
    12   1     0.07  -0.02   0.45     0.00   0.01  -0.37    -0.29   0.05  -0.12
    13   1     0.06  -0.43   0.12    -0.14   0.43  -0.14     0.35  -0.11   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1496.8401              3022.3890              3023.5479
 Red. masses --      1.0650                 1.0409                 1.0407
 Frc consts  --      1.4060                 5.6020                 5.6056
 IR Inten    --      1.2565                32.5842                29.1358
 RamAct Fr= 1--      5.1376                45.1785               437.8382
  Dep-P Fr= 1--      0.7202                 0.7500                 0.0323
  Dep-U Fr= 1--      0.8374                 0.8571                 0.0627
 Alpha2 Fr= 1--      0.0026                 0.0000                 9.0185
 Beta2  Fr= 1--      0.7170                 6.4540                 4.5725
 AlphaG Fr= 1--     -0.0293                 0.0000                 2.6244
 Gamma2 Fr= 1--      2.9304                 1.5113                 9.5626
 Delta2 Fr= 1--      1.3939                -1.1978                -3.6185
 Raman1 Fr= 1--      20.550                180.714               1751.353
 ROA1   Fr= 1--     325.923                106.757                802.214
 CID1   Fr= 1--      15.860                  0.591                  0.458
 Raman2 Fr= 1--       8.604                 77.447                 54.871
 ROA2   Fr= 1--      59.179                 45.854                258.450
 CID2   Fr= 1--       6.878                  0.592                  4.710
 Raman3 Fr= 1--      17.208                154.895                109.741
 ROA3   Fr= 1--     325.923                106.757                802.214
 CID3   Fr= 1--      18.940                  0.689                  7.310
 RC180  Fr= 1--       0.675                  0.714                 -0.875
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03  -0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3  16    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.01  -0.02   0.02     0.02  -0.03  -0.01     0.02  -0.03  -0.01
     5   6     0.01  -0.02  -0.02     0.02   0.03  -0.01    -0.02  -0.03   0.01
     6   1    -0.08   0.02   0.01     0.00  -0.00   0.01    -0.00  -0.01   0.02
     7   1     0.08   0.02  -0.01     0.00   0.00   0.01     0.00  -0.01  -0.02
     8   1    -0.04   0.40  -0.26    -0.21  -0.13  -0.16    -0.21  -0.13  -0.16
     9   1    -0.31  -0.05  -0.21    -0.04   0.57  -0.04    -0.04   0.57  -0.04
    10   1     0.32   0.01   0.06    -0.03  -0.08   0.28    -0.03  -0.09   0.28
    11   1     0.04   0.41   0.27    -0.21   0.13  -0.16     0.21  -0.13   0.16
    12   1     0.32  -0.05   0.21    -0.04  -0.57  -0.04     0.04   0.57   0.04
    13   1    -0.33   0.02  -0.06    -0.03   0.08   0.27     0.03  -0.09  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3085.4594              3086.1435              3107.1081
 Red. masses --      1.0938                 1.0938                 1.0994
 Frc consts  --      6.1354                 6.1377                 6.2533
 IR Inten    --      9.4091                18.5080                16.9283
 RamAct Fr= 1--     47.3406               143.6183                21.2834
  Dep-P Fr= 1--      0.7500                 0.5902                 0.7499
  Dep-U Fr= 1--      0.8571                 0.7423                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.4277                 0.0000
 Beta2  Fr= 1--      6.7629                17.7672                 3.0404
 AlphaG Fr= 1--     -0.0000                -0.9654                 0.0000
 Gamma2 Fr= 1--     37.4750               -26.3785               -30.6351
 Delta2 Fr= 1--     20.8574               -14.6869               -29.8464
 Raman1 Fr= 1--     189.363                574.473                 85.133
 ROA1   Fr= 1--    4265.037              -3002.314              -3896.056
 CID1   Fr= 1--      22.523                 -5.226                -45.764
 Raman2 Fr= 1--      81.155                213.206                 36.484
 ROA2   Fr= 1--     732.542               -515.588               -496.471
 CID2   Fr= 1--       9.026                 -2.418                -13.608
 Raman3 Fr= 1--     162.310                426.412                 72.969
 ROA3   Fr= 1--    4265.037              -3002.314              -3896.056
 CID3   Fr= 1--      26.277                 -7.041                -53.394
 RC180  Fr= 1--       0.714                  0.485                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.02
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.02
     3  16     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.03   0.05  -0.01    -0.03  -0.05   0.01    -0.02  -0.00  -0.06
     5   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.02   0.00  -0.06
     6   1     0.01   0.01  -0.05    -0.01  -0.01   0.05     0.05   0.06  -0.27
     7   1     0.01  -0.01  -0.05     0.01  -0.01  -0.05     0.05  -0.06  -0.27
     8   1    -0.35  -0.19  -0.26     0.36   0.19   0.27     0.31   0.17   0.21
     9   1     0.04  -0.39   0.03    -0.04   0.39  -0.03    -0.00  -0.03  -0.01
    10   1    -0.03  -0.08   0.33     0.03   0.08  -0.31    -0.06  -0.14   0.47
    11   1    -0.35   0.19  -0.26    -0.36   0.19  -0.26     0.31  -0.18   0.21
    12   1     0.04   0.39   0.03     0.04   0.39   0.03    -0.00   0.04  -0.01
    13   1    -0.03   0.08   0.33    -0.03   0.08   0.31    -0.06   0.14   0.48
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3107.4496              3124.3325              3134.2222
 Red. masses --      1.0978                 1.0925                 1.0893
 Frc consts  --      6.2455                 6.2834                 6.3044
 IR Inten    --      1.4913                 7.1933                30.4046
 RamAct Fr= 1--    147.2459               122.9174                29.7901
  Dep-P Fr= 1--      0.5969                 0.0555                 0.7500
  Dep-U Fr= 1--      0.7476                 0.1051                 0.8571
 Alpha2 Fr= 1--      0.4183                 2.3965                 0.0000
 Beta2  Fr= 1--     18.3460                 2.1533                 4.2557
 AlphaG Fr= 1--      0.0746                -3.6649                -0.0000
 Gamma2 Fr= 1--     44.7537               -10.0378                 3.5137
 Delta2 Fr= 1--     37.9444               -10.3284                 5.6406
 Raman1 Fr= 1--     588.984                491.669                119.160
 ROA1   Fr= 1--    5510.576              -1294.140                517.816
 CID1   Fr= 1--       9.356                 -2.632                  4.346
 Raman2 Fr= 1--     220.152                 25.840                 51.069
 ROA2   Fr= 1--     770.534               -158.280                 39.204
 CID2   Fr= 1--       3.500                 -6.125                  0.768
 Raman3 Fr= 1--     440.305                 51.680                102.137
 ROA3   Fr= 1--    5510.576              -1294.140                517.816
 CID3   Fr= 1--      12.515                -25.041                  5.070
 RC180  Fr= 1--       0.495                 -0.790                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.03    -0.01  -0.01   0.05     0.01   0.01  -0.05
     2   6     0.01  -0.01  -0.03     0.01  -0.01  -0.05     0.01  -0.01  -0.05
     3  16     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.02   0.00  -0.05     0.01  -0.01   0.03    -0.01   0.00  -0.02
     5   6     0.02   0.00   0.05    -0.01  -0.01  -0.03    -0.01  -0.00  -0.02
     6   1     0.06   0.07  -0.34     0.11   0.13  -0.59    -0.11  -0.14   0.62
     7   1    -0.06   0.07   0.34    -0.11   0.13   0.59    -0.11   0.14   0.62
     8   1     0.28   0.16   0.20    -0.14  -0.08  -0.09     0.11   0.06   0.07
     9   1    -0.00  -0.03  -0.01    -0.01   0.07   0.00     0.00  -0.05  -0.00
    10   1    -0.05  -0.13   0.46     0.03   0.08  -0.28    -0.03  -0.06   0.23
    11   1    -0.28   0.16  -0.20     0.14  -0.08   0.09     0.11  -0.06   0.07
    12   1     0.00  -0.03   0.01     0.01   0.07  -0.00     0.00   0.05  -0.00
    13   1     0.05  -0.13  -0.45    -0.03   0.08   0.28    -0.03   0.06   0.23

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number 16 and mass  31.97207
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    88.03467 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   337.44898 512.27653 763.16157
           X            0.99997   0.00000  -0.00759
           Y           -0.00000   1.00000   0.00000
           Z            0.00759  -0.00000   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.25667     0.16908     0.11349
 Rotational constants (GHZ):           5.34819     3.52298     2.36482
 Zero-point vibrational energy     291305.6 (Joules/Mol)
                                   69.62372 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.89   323.38   341.25   429.65   483.47
          (Kelvin)            640.17   862.53   887.14  1208.13  1396.39
                             1433.33  1449.77  1555.74  1560.45  1606.39
                             1700.62  1739.77  1918.71  2034.71  2035.75
                             2060.70  2132.25  2139.41  2153.48  2153.62
                             4348.54  4350.21  4439.29  4440.27  4470.44
                             4470.93  4495.22  4509.45
 
 Zero-point correction=                           0.110952 (Hartree/Particle)
 Thermal correction to Energy=                    0.117081
 Thermal correction to Enthalpy=                  0.118025
 Thermal correction to Gibbs Free Energy=         0.081573
 Sum of electronic and zero-point Energies=           -555.419213
 Sum of electronic and thermal Energies=              -555.413084
 Sum of electronic and thermal Enthalpies=            -555.412140
 Sum of electronic and thermal Free Energies=         -555.448593
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   73.470             21.817             76.721
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.338
 Rotational               0.889              2.981             26.381
 Vibrational             71.692             15.855             11.002
 Vibration     1          0.642              1.827              2.051
 Vibration     2          0.649              1.803              1.920
 Vibration     3          0.656              1.784              1.824
 Vibration     4          0.692              1.676              1.425
 Vibration     5          0.717              1.604              1.231
 Vibration     6          0.804              1.372              0.811
 Vibration     7          0.958              1.033              0.451
 Vibration     8          0.976              0.997              0.422
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.301378D-37        -37.520889        -86.395039
 Total V=0       0.326326D+14         13.513652         31.116333
 Vib (Bot)       0.713948D-50        -50.146333       -115.466199
 Vib (Bot)    1  0.950067D+00         -0.022246         -0.051223
 Vib (Bot)    2  0.878280D+00         -0.056367         -0.129790
 Vib (Bot)    3  0.827774D+00         -0.082088         -0.189015
 Vib (Bot)    4  0.637333D+00         -0.195634         -0.450463
 Vib (Bot)    5  0.553970D+00         -0.256514         -0.590645
 Vib (Bot)    6  0.386994D+00         -0.412295         -0.949345
 Vib (Bot)    7  0.249211D+00         -0.603432         -1.389454
 Vib (Bot)    8  0.238026D+00         -0.623376         -1.435376
 Vib (V=0)       0.773049D+01          0.888207          2.045173
 Vib (V=0)    1  0.157360D+01          0.196896          0.453369
 Vib (V=0)    2  0.151063D+01          0.179158          0.412528
 Vib (V=0)    3  0.146706D+01          0.166449          0.383262
 Vib (V=0)    4  0.131006D+01          0.117290          0.270071
 Vib (V=0)    5  0.124625D+01          0.095604          0.220136
 Vib (V=0)    6  0.113227D+01          0.053950          0.124224
 Vib (V=0)    7  0.105866D+01          0.024758          0.057008
 Vib (V=0)    8  0.105377D+01          0.022744          0.052370
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.324664D+08          7.511435         17.295717
 Rotational      0.130020D+06          5.114010         11.775443
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  333333 33                                                          1111111  1     11 111 1                                         
  111100 00                                                          4444444  3     21 100 099    8        65     4    32 222        
  320088 22                                                          9988311  3     08 188 097    4        19     4    39 320        
  447765 42                                                          7772254  4     92 651 861    0        79     5    69 759        
 
  XXXXXX XX                                                          XXXXXXX  X     XX XXX XXX    X        XX     X    XX X X        
  XX XXX XX                                                           XXXXX   X     X  XXX X X             XX                        
  XX XXX XX                                                           XXXXX   X        XXX X X              X                        
  XX XXX XX                                                           XXXXX            XXX X X              X                        
  X  XXX XX                                                           X XXX            X X                  X                        
  X  XXX XX                                                           X X              X X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                                                 X                        
  X  XX  XX                                                                                                 X                        
  X   X  XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                                          
  X      XX                                                                                                                          
  X       X                                                                                                                          
          X                                                                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007101   -0.000004127   -0.000000189
      2        6          -0.000004526   -0.000002047    0.000000634
      3       16          -0.000000268    0.000008362   -0.000000211
      4        6           0.000001636   -0.000004402    0.000000326
      5        6          -0.000004171   -0.000004117   -0.000000802
      6        1          -0.000006524   -0.000003578    0.000000299
      7        1           0.000005989   -0.000002536   -0.000000826
      8        1           0.000000115    0.000000567   -0.000000921
      9        1           0.000002865    0.000001575    0.000001191
     10        1          -0.000006435    0.000004558    0.000000667
     11        1           0.000000618   -0.000000444    0.000000910
     12        1          -0.000002603    0.000001032   -0.000000392
     13        1           0.000006205    0.000005158   -0.000000685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008362 RMS     0.000003468
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.507128D+00
      2 -0.699959D-01  0.234919D+00
      3 -0.780328D-02 -0.771161D-01  0.591197D+00
      4 -0.178999D+00  0.251354D-01 -0.822112D-01  0.507131D+00
      5 -0.251380D-01 -0.288134D-01 -0.147645D-01  0.699970D-01  0.234918D+00
      6 -0.822106D-01  0.147631D-01 -0.135959D+00 -0.780737D-02  0.771188D-01
      7 -0.310167D-01  0.229458D-01 -0.330697D-02 -0.310158D-01 -0.229440D-01
      8  0.556407D-01 -0.883263D-01  0.445656D-01 -0.556389D-01 -0.883249D-01
      9 -0.347798D-02  0.255119D-01 -0.345022D-01 -0.347708D-02 -0.255103D-01
     10 -0.183308D+00  0.318016D-01  0.434309D-01 -0.244598D-01  0.683691D-02
     11  0.327649D-01 -0.696949D-01 -0.165241D-01 -0.108214D-01 -0.311854D-04
     12  0.460062D-01 -0.111509D-01 -0.104352D+00 -0.155177D-01  0.432117D-02
     13 -0.244605D-01 -0.683639D-02  0.726258D-02 -0.183311D+00 -0.318026D-01
     14  0.108218D-01 -0.309827D-04 -0.828842D-02 -0.327659D-01 -0.696945D-01
     15 -0.155160D-01 -0.432163D-02  0.867532D-02  0.460100D-01  0.111523D-01
     16 -0.594038D-01 -0.796202D-02  0.501976D-01  0.270167D-02  0.586583D-02
     17 -0.129933D-01 -0.448381D-01  0.628196D-01  0.289830D-02  0.105467D-02
     18  0.467990D-01  0.579185D-01 -0.303023D+00  0.234323D-02  0.343792D-02
     19  0.270202D-02 -0.586617D-02 -0.246335D-01 -0.594049D-01  0.796271D-02
     20 -0.289853D-02  0.105473D-02  0.120397D-01  0.129943D-01 -0.448394D-01
     21  0.234332D-02 -0.343821D-02 -0.169829D-01  0.468005D-01 -0.579211D-01
     22 -0.246091D-01 -0.103976D-01 -0.177935D-01 -0.281906D-02 -0.411484D-03
     23  0.995190D-02  0.268470D-02  0.731833D-02  0.301885D-02  0.129122D-02
     24  0.107669D-01  0.547593D-02  0.801006D-02  0.153880D-02 -0.608953D-03
     25 -0.371411D-02  0.289149D-01 -0.231285D-02  0.247534D-02  0.130598D-03
     26  0.236963D-02 -0.983551D-02  0.412472D-03  0.219946D-03  0.216868D-03
     27  0.921147D-03 -0.109929D-01  0.214174D-03 -0.474341D-03  0.328911D-03
     28 -0.563272D-02 -0.844987D-02  0.310287D-01  0.165850D-02 -0.428850D-03
     29  0.220286D-02  0.823515D-03 -0.107787D-01 -0.513509D-03  0.549665D-03
     30  0.222243D-02  0.336099D-02 -0.129711D-01 -0.111418D-02  0.290984D-03
     31 -0.281901D-02  0.412034D-03  0.465354D-02 -0.246101D-01  0.104005D-01
     32 -0.301944D-02  0.129126D-02  0.986291D-03 -0.995298D-02  0.268599D-02
     33  0.153806D-02  0.608875D-03 -0.108530D-02  0.107661D-01 -0.547780D-02
     34  0.247448D-02 -0.130573D-03 -0.441224D-03 -0.371577D-02 -0.289143D-01
     35 -0.220165D-03  0.216433D-03 -0.298618D-03 -0.236966D-02 -0.983530D-02
     36 -0.474420D-03 -0.328500D-03  0.126937D-03  0.921629D-03  0.109927D-01
     37  0.165860D-02  0.428824D-03  0.192925D-02 -0.563101D-02  0.844562D-02
     38  0.513483D-03  0.549801D-03 -0.371421D-03 -0.220132D-02  0.822280D-03
     39 -0.111479D-02 -0.291050D-03  0.651645D-03  0.222163D-02 -0.336011D-02
                6             7             8             9            10 
      6  0.591196D+00
      7 -0.330617D-02  0.703721D-01
      8 -0.445644D-01 -0.215505D-05  0.239744D+00
      9 -0.345023D-01  0.148183D-01 -0.100083D-05  0.577827D-01
     10  0.726191D-02 -0.157424D-02  0.458469D-02 -0.146569D-02  0.498590D+00
     11  0.828824D-02  0.278724D-01 -0.194160D-01 -0.404471D-02  0.280309D-01
     12  0.867543D-02 -0.207048D-02  0.130362D-02  0.107580D-02  0.283320D-01
     13  0.434324D-01 -0.157473D-02 -0.458539D-02 -0.146651D-02 -0.790515D-03
     14  0.165262D-01 -0.278724D-01 -0.194156D-01  0.404428D-02  0.217599D-02
     15 -0.104353D+00 -0.207219D-02 -0.130530D-02  0.107571D-02 -0.129508D-02
     16 -0.246332D-01 -0.725945D-03  0.136948D-02 -0.282880D-02 -0.375653D-02
     17 -0.120402D-01  0.313902D-02 -0.153615D-01  0.228326D-01  0.174170D-02
     18 -0.169827D-01 -0.180955D-02 -0.398509D-03  0.278197D-02  0.717661D-03
     19  0.501993D-01 -0.725890D-03 -0.136907D-02 -0.282861D-02  0.188848D-02
     20 -0.628228D-01 -0.313875D-02 -0.153613D-01 -0.228323D-01 -0.943069D-03
     21 -0.303021D+00 -0.180959D-02  0.398748D-03  0.278233D-02  0.179131D-02
     22  0.465330D-02  0.138649D-02  0.447809D-03  0.227117D-04 -0.188188D+00
     23 -0.986336D-03 -0.131942D-02  0.144416D-02 -0.582878D-04 -0.823091D-01
     24 -0.108503D-02 -0.714970D-03  0.247949D-03 -0.371974D-05 -0.104420D+00
     25 -0.441161D-03 -0.459669D-02  0.339249D-02  0.103706D-02 -0.482144D-01
     26  0.298675D-03  0.139226D-02  0.100389D-02 -0.121899D-02  0.168367D-01
     27  0.127338D-03  0.124197D-02 -0.131400D-02  0.734912D-03 -0.571356D-03
     28  0.192897D-02  0.134052D-02 -0.494798D-03 -0.696569D-03 -0.494728D-01
     29  0.371498D-03 -0.690092D-03  0.783086D-03 -0.970266D-03 -0.823536D-02
     30  0.651375D-03 -0.749373D-03 -0.397067D-03  0.102165D-02  0.260267D-01
     31 -0.177902D-01  0.138716D-02 -0.447583D-03  0.226450D-04 -0.706194D-03
     32 -0.731726D-02  0.131949D-02  0.144452D-02  0.583095D-04 -0.443131D-03
     33  0.800865D-02 -0.714808D-03 -0.247709D-03 -0.363972D-05  0.300704D-03
     34 -0.231779D-02 -0.459643D-02 -0.339211D-02  0.103706D-02  0.140687D-03
     35 -0.413941D-03 -0.139240D-02  0.100368D-02  0.121888D-02 -0.583676D-04
     36  0.215914D-03  0.124280D-02  0.131490D-02  0.735229D-03 -0.902581D-04
     37  0.310306D-01  0.134013D-02  0.494876D-03 -0.696562D-03 -0.149436D-03
     38  0.107784D-01  0.690245D-03  0.782722D-03  0.969880D-03 -0.193936D-04
     39 -0.129714D-01 -0.748978D-03  0.397196D-03  0.102153D-02 -0.189108D-04
               11            12            13            14            15 
     11  0.538752D+00
     12 -0.154444D-01  0.564689D+00
     13 -0.217594D-02 -0.129528D-02  0.498592D+00
     14  0.185370D-02  0.167575D-02 -0.280279D-01  0.538753D+00
     15 -0.167526D-02 -0.241652D-02  0.283270D-01  0.154428D-01  0.564690D+00
     16 -0.671844D-02  0.274105D-01  0.188848D-02 -0.642169D-03 -0.763660D-03
     17  0.442218D-02 -0.963699D-02  0.943222D-03  0.134438D-03  0.624770D-03
     18  0.190956D-02 -0.747647D-02  0.179148D-02 -0.480924D-03  0.960105D-03
     19  0.642253D-03 -0.763157D-03 -0.375573D-02  0.671760D-02  0.274108D-01
     20  0.134680D-03 -0.624870D-03 -0.174187D-02  0.442133D-02  0.963726D-02
     21  0.480810D-03  0.960243D-03  0.717656D-03 -0.190942D-02 -0.747675D-02
     22 -0.800493D-01 -0.103125D+00 -0.706116D-03  0.125018D-02 -0.105928D-02
     23 -0.918318D-01 -0.587778D-01  0.443020D-03 -0.476152D-03  0.401558D-03
     24 -0.583921D-01 -0.123701D+00  0.300739D-03  0.564901D-04  0.558185D-03
     25  0.179874D-01 -0.744450D-03  0.140709D-03 -0.149837D-03  0.119905D-03
     26 -0.297495D+00  0.177090D-01  0.584127D-04 -0.674156D-04  0.158858D-03
     27  0.170517D-01 -0.491096D-01 -0.902533D-04  0.713054D-04 -0.203475D-05
     28 -0.663599D-02  0.228386D-01 -0.149485D-03 -0.203752D-03 -0.131518D-03
     29 -0.660120D-01  0.710106D-01  0.194272D-04 -0.137844D-03 -0.175408D-03
     30  0.685200D-01 -0.289194D+00 -0.188517D-04  0.415430D-04  0.293706D-03
     31 -0.125016D-02 -0.105936D-02 -0.188187D+00  0.800773D-01 -0.103101D+00
     32 -0.476139D-03 -0.401666D-03  0.823380D-01 -0.918633D-01  0.587851D-01
     33 -0.565755D-04  0.558225D-03 -0.104395D+00  0.583990D-01 -0.123667D+00
     34  0.149732D-03  0.119915D-03 -0.482174D-01 -0.180067D-01 -0.748936D-03
     35 -0.674233D-04 -0.158793D-03 -0.168564D-01 -0.297487D+00 -0.177524D-01
     36 -0.713869D-04 -0.202239D-05 -0.575701D-03 -0.170957D-01 -0.491158D-01
     37  0.203759D-03 -0.131534D-03 -0.494682D-01  0.662568D-02  0.228204D-01
     38 -0.137831D-03  0.175330D-03  0.822429D-02 -0.659890D-01 -0.709726D-01
     39 -0.417187D-04  0.293827D-03  0.260095D-01 -0.684829D-01 -0.289222D+00
               16            17            18            19            20 
     16  0.651911D-01
     17  0.442489D-02  0.536232D-01
     18 -0.493356D-01 -0.628000D-01  0.322111D+00
     19 -0.245448D-02 -0.168133D-02 -0.163390D-02  0.651912D-01
     20  0.168121D-02  0.511160D-03  0.170869D-02 -0.442530D-02  0.536245D-01
     21 -0.163384D-02 -0.170868D-02 -0.541957D-03 -0.493372D-01  0.628025D-01
     22  0.816917D-03 -0.301250D-04  0.415967D-03  0.298922D-03 -0.145855D-03
     23 -0.609238D-03 -0.609790D-04  0.916784D-05 -0.111523D-03 -0.123461D-03
     24 -0.656550D-03  0.366365D-03  0.464870D-03  0.278306D-03  0.272591D-04
     25  0.923391D-03 -0.892536D-03  0.219905D-03 -0.168364D-03 -0.832223D-04
     26  0.306206D-03  0.388683D-03 -0.429213D-03  0.229877D-03 -0.516715D-04
     27 -0.522543D-03  0.381837D-03  0.000000D+00  0.556734D-04  0.179595D-03
     28 -0.493239D-02  0.204910D-02  0.132165D-02 -0.378984D-03 -0.172010D-03
     29  0.211351D-02  0.247424D-03 -0.756007D-03 -0.289129D-03  0.537347D-04
     30  0.191721D-02 -0.789776D-03  0.761614D-03  0.514681D-03 -0.157236D-03
     31  0.298944D-03  0.145805D-03  0.201579D-03  0.816520D-03  0.299464D-04
     32  0.111512D-03 -0.123419D-03  0.373547D-04  0.609253D-03 -0.610322D-04
     33  0.278323D-03 -0.272065D-04  0.384980D-03 -0.656543D-03 -0.366263D-03
     34 -0.168379D-03  0.832130D-04 -0.323098D-03  0.923723D-03  0.892469D-03
     35 -0.229763D-03 -0.515801D-04 -0.132475D-03 -0.306062D-03  0.389067D-03
     36  0.556852D-04 -0.179681D-03 -0.317433D-04 -0.522751D-03 -0.381680D-03
     37 -0.379000D-03  0.172023D-03 -0.708300D-03 -0.493246D-02 -0.204929D-02
     38  0.289002D-03  0.538281D-04 -0.241533D-04 -0.211312D-02  0.247634D-03
     39  0.514882D-03  0.157307D-03  0.590715D-03  0.191691D-02  0.790144D-03
               21            22            23            24            25 
     21  0.322110D+00
     22  0.201603D-03  0.208653D+00
     23 -0.373099D-04  0.868365D-01  0.964569D-01
     24  0.384894D-03  0.112597D+00  0.651053D-01  0.129816D+00
     25 -0.323263D-03  0.241014D-02 -0.238611D-01  0.292424D-02  0.515864D-01
     26  0.132632D-03  0.540979D-03 -0.129534D-01  0.117960D-02 -0.221077D-01
     27 -0.317682D-04  0.202390D-02 -0.175946D-01  0.105903D-02 -0.223973D-03
     28 -0.708200D-03  0.320269D-02  0.777134D-02 -0.227573D-01 -0.784062D-03
     29  0.241036D-04  0.220931D-02  0.346254D-02 -0.135178D-01 -0.330796D-02
     30  0.590520D-03  0.185447D-02  0.466721D-02 -0.154548D-01 -0.319195D-03
     31  0.416010D-03 -0.558638D-03  0.215173D-03  0.188018D-03  0.115750D-03
     32 -0.916454D-05 -0.215201D-03  0.921641D-04  0.572802D-04  0.150200D-04
     33  0.464531D-03  0.188023D-03 -0.572839D-04 -0.411391D-04  0.504475D-04
     34  0.219842D-03  0.115705D-03 -0.150075D-04  0.504541D-04 -0.163691D-03
     35  0.429268D-03 -0.417681D-04 -0.631076D-05  0.302028D-04 -0.895574D-04
     36  0.000000D+00 -0.334627D-04  0.255061D-04 -0.262478D-04  0.207208D-04
     37  0.132186D-02 -0.356600D-05 -0.113006D-04 -0.955199D-04 -0.104370D-04
     38  0.755800D-03  0.665258D-05  0.203677D-04 -0.275172D-04  0.515911D-04
     39  0.761589D-03  0.546983D-04 -0.153838D-04  0.193496D-04 -0.739099D-05
               26            27            28            29            30 
     26  0.326037D+00
     27 -0.185638D-01  0.469492D-01
     28  0.466988D-04 -0.236276D-02  0.550430D-01
     29 -0.736887D-02  0.305180D-01  0.651587D-02  0.675630D-01
     30  0.337514D-03  0.117808D-03 -0.301701D-01 -0.758350D-01  0.314249D+00
     31  0.417559D-04 -0.334528D-04 -0.358872D-05 -0.664136D-05  0.546965D-04
     32 -0.631063D-05 -0.254969D-04  0.113022D-04  0.203741D-04  0.153930D-04
     33 -0.302147D-04 -0.262527D-04 -0.955399D-04  0.275271D-04  0.193761D-04
     34  0.895708D-04  0.207130D-04 -0.104429D-04 -0.515912D-04 -0.740951D-05
     35  0.151131D-03  0.141070D-04  0.242540D-04 -0.193207D-04 -0.275896D-04
     36 -0.141000D-04  0.176577D-04  0.152535D-04  0.545179D-04 -0.503937D-04
     37 -0.242638D-04  0.152726D-04  0.119769D-03  0.333072D-04 -0.211134D-03
     38 -0.193239D-04 -0.544900D-04 -0.332932D-04  0.347119D-04 -0.269511D-04
     39  0.275940D-04 -0.504220D-04 -0.211154D-03  0.269791D-04 -0.339089D-04
               31            32            33            34            35 
     31  0.208653D+00
     32 -0.868670D-01  0.964924D-01
     33  0.112571D+00 -0.651130D-01  0.129778D+00
     34  0.241213D-02  0.238606D-01  0.292833D-02  0.515894D-01
     35 -0.542467D-03 -0.129582D-01 -0.118224D-02  0.221291D-01  0.326029D+00
     36  0.202494D-02  0.175904D-01  0.106170D-02 -0.219291D-03  0.186123D-01
     37  0.320060D-02 -0.776740D-02 -0.227588D-01 -0.784046D-03 -0.467802D-04
     38 -0.220872D-02  0.346164D-02  0.135228D-01  0.330563D-02 -0.736333D-02
     39  0.185251D-02 -0.466355D-02 -0.154522D-01 -0.318569D-03 -0.338776D-03
               36            37            38            39 
     36  0.469560D-01
     37 -0.236514D-02  0.550391D-01
     38 -0.305193D-01 -0.650505D-02  0.675365D-01
     39  0.112406D-03 -0.301504D-01  0.757942D-01  0.314279D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.783372D+02 -0.203196D-04 -0.239503D-02
      2  -0.203196D-04  0.797125D+02  0.138602D-03
      3  -0.239503D-02  0.138602D-03  0.611674D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.218762D+01  0.337167D-03 -0.217939D+01
      2   0.419487D-04  0.320172D+01 -0.729017D-04
      3   0.529659D+01 -0.260938D-03 -0.196780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.390554D-03 -0.348029D+02  0.142526D-03
      2  -0.791889D-03  0.219210D+02 -0.222174D-02
      3   0.118244D-02  0.128819D+02  0.207922D-02
      4  -0.382354D+02 -0.122748D-02 -0.788024D+01
      5   0.190890D-03 -0.489144D+01  0.117423D-02
      6  -0.578884D+01 -0.277918D-02 -0.502046D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.450372D+01 -0.165017D+01  0.198295D+01 -0.305144D+01  0.735141D+01
      2  -0.165017D+01  0.222806D+01 -0.111248D+01  0.735141D+01 -0.910386D+01
      3   0.198295D+01 -0.111248D+01  0.239375D+01 -0.137550D+00  0.140929D+01
                 6             7             8             9            10 
      1  -0.137550D+00  0.423326D+01 -0.863213D+00  0.157604D+01 -0.450402D+01
      2   0.140929D+01 -0.863213D+00 -0.642676D+00  0.243431D+01 -0.165018D+01
      3  -0.289241D+00  0.157604D+01  0.243431D+01 -0.682412D+01 -0.198302D+01
                11            12            13            14            15 
      1  -0.165018D+01 -0.198302D+01 -0.305170D+01 -0.735162D+01 -0.137724D+00
      2  -0.222811D+01 -0.111255D+01 -0.735162D+01 -0.910389D+01 -0.140954D+01
      3  -0.111255D+01 -0.239374D+01 -0.137724D+00 -0.140954D+01 -0.289207D+00
                16            17            18            19            20 
      1  -0.423330D+01 -0.863079D+00 -0.157597D+01  0.255458D-04  0.852474D+01
      2  -0.863079D+00  0.642480D+00  0.243429D+01  0.852474D+01 -0.439859D-04
      3  -0.157597D+01  0.243429D+01  0.682421D+01  0.402788D-04  0.176471D+01
                21            22            23            24            25 
      1   0.402788D-04  0.765461D+01  0.695945D-04  0.712587D+00  0.749024D-04
      2   0.176471D+01  0.695945D-04  0.231332D+02  0.104785D-03  0.339383D+01
      3  -0.533990D-04  0.712587D+00  0.104785D-03  0.494847D+01  0.693994D-05
                26            27            28            29            30 
      1   0.339383D+01  0.693994D-05 -0.298779D+01 -0.123267D+01 -0.310650D+01
      2   0.753472D-04  0.636630D+01 -0.123267D+01 -0.145840D+01 -0.416405D+00
      3   0.636630D+01  0.686503D-04 -0.310650D+01 -0.416405D+00 -0.149614D+01
                31            32            33            34            35 
      1  -0.883561D-01 -0.560179D+01 -0.677511D+00 -0.371190D+01 -0.499498D+00
      2  -0.560179D+01  0.985709D+01 -0.240268D+00 -0.499498D+00 -0.982044D+00
      3  -0.677511D+00 -0.240268D+00 -0.235239D+01 -0.235612D+01 -0.173820D+01
                36            37            38            39            40 
      1  -0.235612D+01  0.298861D+01 -0.123254D+01  0.310635D+01 -0.888093D-01
      2  -0.173820D+01 -0.123254D+01  0.145944D+01 -0.416493D+00  0.560272D+01
      3   0.450528D+01  0.310635D+01 -0.416493D+00  0.149536D+01 -0.677535D+00
                41            42            43            44            45 
      1   0.560272D+01 -0.677535D+00  0.371205D+01 -0.498851D+00  0.235524D+01
      2   0.985657D+01  0.241962D+00 -0.498851D+00  0.984273D+00 -0.173757D+01
      3   0.241962D+00 -0.235166D+01  0.235524D+01 -0.173757D+01 -0.450674D+01
                46            47            48            49            50 
      1   0.271731D+00 -0.101009D+01  0.102246D+01 -0.687960D+00 -0.225797D-01
      2  -0.101009D+01 -0.200018D+00  0.194165D+00 -0.225797D-01 -0.486815D+00
      3   0.102246D+01  0.194165D+00 -0.935189D+00 -0.196081D+00  0.138313D+01
                51            52            53            54            55 
      1  -0.196081D+00  0.151489D+01 -0.512199D+00  0.167251D+00 -0.271723D+00
      2   0.138313D+01 -0.512199D+00  0.307010D+01 -0.346780D+01 -0.101007D+01
      3  -0.139143D+01  0.167251D+00 -0.346780D+01  0.788919D+01 -0.102249D+01
                56            57            58            59            60 
      1  -0.101007D+01 -0.102249D+01 -0.687980D+00  0.225597D-01 -0.196053D+00
      2   0.200065D+00  0.194193D+00  0.225597D-01 -0.486822D+00 -0.138316D+01
      3   0.194193D+00  0.935254D+00 -0.196053D+00 -0.138316D+01 -0.139154D+01
                61            62            63            64            65 
      1  -0.151483D+01 -0.512213D+00 -0.167223D+00  0.791418D+01  0.637946D+00
      2  -0.512213D+00 -0.307016D+01 -0.346781D+01  0.637946D+00  0.996731D+00
      3  -0.167223D+00 -0.346781D+01 -0.788923D+01  0.255608D+01  0.389958D+00
                66            67            68            69            70 
      1   0.255608D+01  0.293830D+01  0.182447D+01  0.871787D+00  0.415499D+01
      2   0.389958D+00  0.182447D+01 -0.507646D-01  0.718219D+00  0.111756D+00
      3   0.185725D+01  0.871787D+00  0.718219D+00  0.111361D+01  0.251377D+01
                71            72            73            74            75 
      1   0.111756D+00  0.251377D+01  0.134768D+01 -0.144521D+01  0.480843D+00
      2   0.102452D+01  0.555282D+00 -0.144521D+01  0.793293D+00 -0.158218D-01
      3   0.555282D+00  0.174932D+01  0.480843D+00 -0.158218D-01  0.103780D+00
                76            77            78            79            80 
      1  -0.406113D+01  0.489257D+01  0.142715D+00  0.112068D+01 -0.363988D+00
      2   0.489257D+01 -0.113778D+02  0.169553D+00 -0.363988D+00  0.764708D+00
      3   0.142715D+00  0.169553D+00 -0.949668D+00  0.771763D+00 -0.125123D+01
                81            82            83            84            85 
      1   0.771763D+00  0.107596D+01  0.437780D+00 -0.795639D+00  0.112336D+01
      2  -0.125123D+01  0.437780D+00  0.254322D+00  0.781945D-01  0.621850D+00
      3   0.205339D-01 -0.795639D+00  0.781945D-01  0.913394D+00 -0.359606D+00
                86            87            88            89            90 
      1   0.621850D+00 -0.359606D+00 -0.219065D+01  0.430171D+00  0.213590D+01
      2  -0.404475D+00 -0.794899D+00  0.430171D+00 -0.116044D+01  0.284514D+00
      3  -0.794899D+00  0.139490D+01  0.213590D+01  0.284514D+00 -0.637653D+01
                91            92            93            94            95 
      1  -0.791453D+01  0.638380D+00 -0.255562D+01  0.293929D+01 -0.182489D+01
      2   0.638380D+00 -0.997083D+00  0.390122D+00 -0.182489D+01 -0.503191D-01
      3  -0.255562D+01  0.390122D+00 -0.185679D+01  0.871948D+00 -0.718409D+00
                96            97            98            99           100 
      1   0.871948D+00 -0.415425D+01  0.111854D+00 -0.251324D+01 -0.134825D+01
      2  -0.718409D+00  0.111854D+00 -0.102468D+01  0.555353D+00 -0.144560D+01
      3   0.111368D+01 -0.251324D+01  0.555353D+00 -0.174848D+01 -0.481001D+00
               101           102           103           104           105 
      1  -0.144560D+01 -0.481001D+00 -0.406118D+01 -0.489296D+01  0.142362D+00
      2  -0.793984D+00 -0.159353D-01 -0.489296D+01 -0.113774D+02 -0.170668D+00
      3  -0.159353D-01 -0.103810D+00  0.142362D+00 -0.170668D+00 -0.949755D+00
               106           107           108           109           110 
      1  -0.112154D+01 -0.364841D+00 -0.771730D+00 -0.107559D+01  0.437679D+00
      2  -0.364841D+00 -0.766353D+00 -0.125131D+01  0.437679D+00 -0.254278D+00
      3  -0.771730D+00 -0.125131D+01 -0.209174D-01  0.795552D+00  0.783491D-01
               111           112           113           114           115 
      1   0.795552D+00  0.112299D+01 -0.621808D+00 -0.359339D+00  0.219054D+01
      2   0.783491D-01 -0.621808D+00 -0.404732D+00  0.794686D+00  0.430271D+00
      3  -0.913065D+00 -0.359339D+00  0.794686D+00  0.139423D+01 -0.213568D+01
               116           117 
      1   0.430271D+00 -0.213568D+01
      2   0.116019D+01  0.283882D+00
      3   0.283882D+00  0.637741D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.143168D+01  0.396069D+01 -0.747457D+00 -0.147533D+00 -0.990147D+01
      2   0.167665D+01 -0.244773D+01  0.315163D+01  0.205818D+01 -0.318693D+01
      3   0.211081D+01 -0.801751D+01  0.247312D+01  0.106561D+01 -0.392887D+00
                 6             7             8             9            10 
      1   0.203781D+01 -0.558058D+01  0.871560D+01 -0.213793D+01  0.143134D+01
      2   0.246887D+01 -0.798026D+01  0.914746D+01 -0.597769D+01  0.167614D+01
      3   0.117182D+01  0.626959D+00 -0.876665D-01 -0.264685D+01 -0.210984D+01
                11            12            13            14            15 
      1   0.396050D+01  0.747665D+00 -0.147916D+00  0.990083D+01  0.203789D+01
      2   0.244792D+01  0.315189D+01 -0.205789D+01 -0.318641D+01 -0.246883D+01
      3  -0.801755D+01 -0.247296D+01  0.106646D+01  0.393741D+00  0.117160D+01
                16            17            18            19            20 
      1   0.558077D+01  0.871555D+01  0.213808D+01  0.225342D-03 -0.856077D+01
      2  -0.798056D+01 -0.914724D+01 -0.597821D+01  0.452608D+01  0.108508D-03
      3  -0.626921D+00 -0.880042D-01  0.264650D+01 -0.209168D-03 -0.104205D+02
                21            22            23            24            25 
      1  -0.979094D-04 -0.432031D+01  0.412292D-04 -0.154822D+02 -0.819084D-05
      2   0.725928D+01 -0.398623D-04  0.529996D+01  0.000000D+00 -0.984990D+01
      3  -0.147638D-03  0.183529D+02 -0.584140D-03  0.690171D+00 -0.336614D-03
                26            27            28            29            30 
      1   0.698477D+01  0.607618D-04 -0.146343D+01 -0.733408D+00 -0.219240D+01
      2  -0.689519D-04  0.282959D+00 -0.938758D+01 -0.349043D+00 -0.252174D+01
      3   0.395547D+01  0.240189D-04  0.998710D+01  0.145460D+01  0.376436D+01
                31            32            33            34            35 
      1  -0.605254D+00 -0.487217D+00 -0.370762D+01 -0.335613D+01  0.854398D+00
      2  -0.403665D+01  0.127655D+01 -0.632821D+01 -0.980282D+01 -0.276186D+01
      3   0.171717D+02 -0.185115D+02  0.163490D+01  0.421918D+01  0.189924D+01
                36            37            38            39            40 
      1   0.596267D+01  0.146311D+01 -0.733186D+00  0.219119D+01 -0.604518D+00
      2   0.973874D+01 -0.938606D+01  0.349669D+00 -0.251962D+01  0.403586D+01
      3   0.777429D+01 -0.998909D+01  0.145661D+01 -0.376509D+01  0.171747D+02
                41            42            43            44            45 
      1   0.489397D+00 -0.370626D+01  0.335446D+01  0.855036D+00 -0.596366D+01
      2   0.127182D+01  0.632662D+01 -0.980001D+01  0.276069D+01  0.974274D+01
      3   0.185093D+02  0.163969D+01 -0.421863D+01  0.190372D+01 -0.777138D+01
                46            47            48            49            50 
      1  -0.669482D+00  0.370972D+00 -0.349531D+00  0.649257D+00 -0.120890D+00
      2   0.180335D+01  0.143934D+01 -0.209835D+00  0.195228D+01  0.126706D+01
      3   0.483578D+00  0.194115D+00 -0.604228D+00  0.206943D+01  0.155456D+01
                51            52            53            54            55 
      1  -0.248140D+01 -0.113283D+01  0.269528D+01  0.283199D+01  0.669430D+00
      2  -0.253163D+01 -0.277271D+01 -0.389694D+01  0.714920D+01  0.180344D+01
      3  -0.178682D+01 -0.130935D+01 -0.238910D+01  0.265321D+01 -0.483581D+00
                56            57            58            59            60 
      1   0.371010D+00  0.349680D+00  0.649313D+00  0.121024D+00 -0.248141D+01
      2  -0.143934D+01 -0.209901D+00 -0.195234D+01  0.126706D+01  0.253176D+01
      3   0.194276D+00  0.604343D+00  0.206956D+01 -0.155458D+01 -0.178685D+01
                61            62            63            64            65 
      1   0.113281D+01  0.269524D+01 -0.283201D+01  0.206570D+01  0.675483D+00
      2  -0.277261D+01  0.389694D+01  0.714910D+01  0.510864D+01  0.987729D+00
      3   0.130928D+01 -0.238925D+01 -0.265319D+01 -0.102924D+02 -0.527858D+01
                66            67            68            69            70 
      1   0.130491D+01  0.938190D+00  0.489588D+00  0.385459D-01  0.113888D+01
      2   0.663440D+01  0.205732D+01  0.127522D+01  0.352463D+01  0.384714D+01
      3  -0.378372D+01 -0.524699D+01 -0.230375D+01 -0.261346D+01 -0.490446D+01
                71            72            73            74            75 
      1   0.185033D+01  0.917023D+00 -0.215527D+00 -0.111243D+00  0.907131D+00
      2   0.150747D+01  0.442228D+01  0.427951D+00 -0.108329D+00  0.162618D+01
      3  -0.327765D+01 -0.380051D+01  0.328012D+00 -0.190397D+01 -0.216568D+00
                76            77            78            79            80 
      1   0.870409D+00  0.338827D+00 -0.423558D+01  0.121029D+01 -0.784084D+00
      2   0.196889D+01 -0.147113D+01 -0.318279D+01  0.759135D+00 -0.210900D+01
      3  -0.401882D+01  0.224956D+02 -0.782883D+00 -0.467243D+00 -0.112992D+01
                81            82            83            84            85 
      1  -0.604661D+00 -0.927043D+00  0.117763D+00  0.110408D+01  0.455590D+00
      2  -0.608823D+00 -0.189245D+01  0.449309D+00  0.298148D+01  0.916948D+00
      3   0.100780D+01 -0.141292D+01 -0.116700D+01  0.929086D+00 -0.632503D+00
                86            87            88            89            90 
      1  -0.162291D+01  0.797347D+00  0.216645D+01  0.310484D+01 -0.682548D+01
      2  -0.181073D+01  0.327696D+01  0.128932D+01  0.130543D+01 -0.148647D+02
      3  -0.713241D+00  0.203092D+01  0.178817D+01  0.300741D+01 -0.406673D+01
                91            92            93            94            95 
      1  -0.206486D+01  0.675496D+00 -0.130426D+01  0.938078D+00 -0.489667D+00
      2   0.510740D+01 -0.988244D+00  0.663328D+01 -0.205753D+01  0.127569D+01
      3   0.102944D+02 -0.527963D+01  0.378371D+01 -0.524924D+01  0.230541D+01
                96            97            98            99           100 
      1   0.383391D-01 -0.113817D+01  0.185019D+01 -0.916254D+00  0.215478D+00
      2  -0.352505D+01  0.384599D+01 -0.150753D+01  0.441992D+01  0.428059D+00
      3  -0.261437D+01  0.490437D+01 -0.327783D+01  0.380005D+01 -0.327989D+00
               101           102           103           104           105 
      1  -0.111326D+00 -0.907257D+00  0.869856D+00 -0.339757D+00 -0.423578D+01
      2   0.108402D+00  0.162621D+01 -0.196826D+01 -0.146827D+01  0.318301D+01
      3  -0.190537D+01  0.216500D+00 -0.401984D+01 -0.224945D+02 -0.785307D+00
               106           107           108           109           110 
      1  -0.120999D+01 -0.784222D+00  0.603859D+00  0.926738D+00  0.118021D+00
      2   0.758349D+00  0.210872D+01 -0.607892D+00 -0.189251D+01 -0.449719D+00
      3   0.466846D+00 -0.113292D+01 -0.100814D+01  0.141222D+01 -0.116690D+01
               111           112           113           114           115 
      1  -0.110364D+01  0.455725D+00  0.162213D+01  0.796516D+00 -0.216595D+01
      2   0.298059D+01 -0.916779D+00 -0.180989D+01 -0.327534D+01  0.128843D+01
      3  -0.928466D+00 -0.632461D+00  0.712339D+00  0.202976D+01 -0.178786D+01
               116           117 
      1   0.310448D+01  0.682638D+01
      2  -0.130406D+01 -0.148668D+02
      3   0.300650D+01  0.406491D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153140D+01 -0.620166D+01  0.302986D+01 -0.150423D+01  0.105259D+02
      2  -0.252367D+01  0.880896D+01 -0.544529D+01  0.407071D+01 -0.542518D+01
      3   0.992274D+00 -0.260730D+01  0.241544D+01 -0.256648D+01 -0.510071D+01
      4  -0.316958D+01  0.836418D+00 -0.152713D+01 -0.800216D+00 -0.218450D+01
      5   0.474012D+01 -0.163129D+01 -0.256696D+00  0.194354D+00 -0.349160D+01
      6  -0.136064D+01 -0.239661D+01  0.312559D+01  0.153351D+00  0.529154D+01
                 6             7             8             9            10 
      1  -0.646953D+01  0.120651D+01 -0.454185D+01  0.858355D+01  0.153347D+01
      2   0.493569D+01 -0.208700D+01  0.248415D+01 -0.507054D+00 -0.252567D+01
      3   0.153384D+01  0.880486D+00  0.205771D+01 -0.807650D+01  0.992201D+00
      4   0.564677D+00  0.245021D+00 -0.152622D+01 -0.303278D+01  0.316957D+01
      5   0.792138D+01  0.539121D+01  0.427016D+00 -0.737157D+01  0.473991D+01
      6  -0.100834D+02 -0.242323D+01 -0.701420D+00  0.741437D+01  0.136095D+01
                11            12            13            14            15 
      1   0.620279D+01  0.303030D+01  0.150516D+01  0.105283D+02  0.646998D+01
      2  -0.880935D+01 -0.544589D+01 -0.407089D+01 -0.542672D+01 -0.493578D+01
      3   0.260655D+01  0.241558D+01  0.256573D+01 -0.510162D+01 -0.153420D+01
      4   0.836684D+00  0.152692D+01 -0.799974D+00  0.218501D+01  0.565359D+00
      5   0.163218D+01 -0.256312D+00 -0.193357D+00 -0.348958D+01 -0.792112D+01
      6  -0.239620D+01 -0.312560D+01  0.153992D+00 -0.529117D+01 -0.100837D+02
                16            17            18            19            20 
      1   0.120635D+01  0.454136D+01  0.858238D+01  0.634036D+01 -0.313238D-03
      2  -0.208690D+01 -0.248363D+01 -0.506452D+00  0.586076D+01  0.200702D-03
      3   0.880557D+00 -0.205773D+01 -0.807593D+01 -0.122011D+02  0.112536D-03
      4  -0.244966D+00 -0.152570D+01  0.303339D+01  0.598521D-04  0.346893D+02
      5   0.538983D+01 -0.426779D+00 -0.737209D+01 -0.228321D+01 -0.226562D-03
      6   0.242338D+01 -0.701360D+00 -0.741504D+01 -0.179763D-03  0.919121D+01
                21            22            23            24            25 
      1  -0.715690D+01 -0.577139D-03 -0.532224D+02 -0.334648D-03 -0.210017D+01
      2   0.843536D+01  0.375017D-03  0.785380D+02  0.384445D-03  0.731174D+01
      3  -0.127846D+01  0.202122D-03 -0.253156D+02 -0.497968D-04 -0.521157D+01
      4   0.515243D-04  0.243360D+02  0.444077D-05  0.168216D+00 -0.125783D-03
      5   0.179311D+02 -0.542684D-03  0.530230D+01 -0.322013D-04  0.148826D+02
      6  -0.257556D-04  0.227923D+01 -0.158178D-03  0.328375D+02 -0.750554D-04
                26            27            28            29            30 
      1  -0.281030D-03 -0.223214D+02 -0.134648D+02 -0.112033D+02 -0.156448D+02
      2   0.292154D-03  0.108547D+01  0.103325D+02  0.947526D+01  0.930709D+01
      3  -0.111243D-04  0.212360D+02  0.313231D+01  0.172807D+01  0.633774D+01
      4   0.351824D+01 -0.197061D-03 -0.975070D+01 -0.240755D+01 -0.234847D+00
      5  -0.363202D-03 -0.235152D+01 -0.192146D+02 -0.179437D+01 -0.857467D+01
      6   0.334704D+02 -0.383850D-04  0.310726D+01 -0.527897D+00  0.187875D+01
                31            32            33            34            35 
      1  -0.173345D+02  0.372356D+01 -0.617199D+01 -0.187628D+02 -0.251469D+01
      2   0.187630D+02 -0.208789D+02  0.259087D+01  0.855247D+01  0.163915D+01
      3  -0.142851D+01  0.171554D+02  0.358111D+01  0.102103D+02  0.875539D+00
      4  -0.132966D+02  0.323550D+02 -0.245992D+01 -0.534452D-01 -0.327625D+01
      5  -0.322547D+01 -0.298749D+01 -0.118305D+02 -0.124570D+02 -0.750601D+01
      6  -0.266300D+00  0.164283D+01  0.322899D+01  0.164893D+01  0.391092D+01
                36            37            38            39            40 
      1  -0.902057D+01 -0.134687D+02  0.112051D+02 -0.156440D+02  0.173381D+02
      2   0.138416D+02  0.103343D+02 -0.947794D+01  0.930676D+01 -0.187661D+02
      3  -0.482100D+01  0.313437D+01 -0.172721D+01  0.633719D+01  0.142793D+01
      4  -0.641199D+01  0.975273D+01 -0.241124D+01  0.236613D+00 -0.133016D+02
      5   0.180609D+02 -0.192128D+02  0.179476D+01 -0.857010D+01  0.322536D+01
      6  -0.668653D+01 -0.310674D+01 -0.528409D+00 -0.187776D+01 -0.269209D+00
                41            42            43            44            45 
      1   0.371681D+01  0.617565D+01 -0.187612D+02  0.251738D+01 -0.901316D+01
      2  -0.208748D+02 -0.259681D+01  0.855025D+01 -0.164569D+01  0.138376D+02
      3   0.171580D+02 -0.357884D+01  0.102109D+02 -0.871685D+00 -0.482441D+01
      4  -0.323553D+02 -0.246706D+01  0.536816D-01 -0.328380D+01  0.640937D+01
      5  -0.299592D+01  0.118266D+02 -0.124510D+02  0.750293D+01  0.180675D+02
      6  -0.164936D+01  0.322812D+01 -0.164863D+01  0.390981D+01  0.669038D+01
                46            47            48            49            50 
      1   0.103143D+01 -0.164929D+01  0.296541D+01 -0.106392D+01 -0.656157D+01
      2  -0.285656D+01  0.402233D+00 -0.404334D+00  0.112423D+01  0.180638D+01
      3   0.182513D+01  0.124706D+01 -0.256108D+01 -0.603143D-01  0.475519D+01
      4  -0.608543D+00  0.341188D+01 -0.220967D+01  0.319707D+01 -0.433241D+00
      5   0.247234D+00 -0.202960D+01  0.533826D+01 -0.168750D+01  0.222477D+01
      6  -0.202220D+01 -0.204437D+01  0.112461D+01 -0.479955D+00 -0.635428D+01
                51            52            53            54            55 
      1   0.496109D+01  0.184088D+01  0.585324D+01 -0.175124D+02  0.103164D+01
      2  -0.713004D+00 -0.179872D+01  0.332613D+01 -0.102878D+02 -0.285649D+01
      3  -0.424809D+01 -0.421545D-01 -0.917937D+01  0.278002D+02  0.182485D+01
      4   0.432854D+00 -0.314297D+01  0.117099D+01  0.491254D+00  0.608391D+00
      5  -0.262972D+01  0.317468D+01 -0.331555D+01  0.839447D+01  0.247375D+00
      6   0.113848D+02 -0.226765D+00  0.877189D+01 -0.153420D+02  0.202233D+01
                56            57            58            59            60 
      1   0.164936D+01  0.296559D+01  0.106395D+01 -0.656170D+01 -0.496126D+01
      2  -0.402340D+00 -0.404321D+00 -0.112464D+01  0.180617D+01  0.713062D+00
      3  -0.124702D+01 -0.256127D+01  0.606941D-01  0.475554D+01  0.424820D+01
      4   0.341187D+01  0.220977D+01  0.319681D+01  0.432951D+00  0.432770D+00
      5   0.202967D+01  0.533811D+01  0.168715D+01  0.222457D+01  0.262996D+01
      6  -0.204447D+01 -0.112478D+01 -0.479976D+00  0.635441D+01  0.113850D+02
                61            62            63            64            65 
      1   0.184072D+01 -0.585308D+01 -0.175121D+02  0.479275D+02  0.662181D+01
      2  -0.179847D+01 -0.332622D+01 -0.102880D+02 -0.287907D+02 -0.537629D+01
      3  -0.422570D-01  0.917930D+01  0.278001D+02 -0.191368D+02 -0.124552D+01
      4   0.314314D+01  0.117111D+01 -0.491457D+00  0.157604D+01  0.707279D+01
      5   0.317481D+01  0.331548D+01  0.839420D+01  0.177031D+02  0.241336D+01
      6   0.226618D+00  0.877191D+01  0.153424D+02 -0.175953D+01  0.234370D+00
                66            67            68            69            70 
      1   0.146679D+02  0.171236D+02  0.538436D+01  0.468232D+01  0.200331D+02
      2  -0.954004D+01 -0.113110D+02 -0.931324D+00 -0.359811D+01 -0.137346D+02
      3  -0.512785D+01 -0.581267D+01 -0.445304D+01 -0.108421D+01 -0.629847D+01
      4   0.114766D+01  0.101054D+02  0.246296D+01  0.426146D+01 -0.203598D+00
      5   0.135466D+02  0.596792D+01  0.410801D+01  0.678961D+01  0.168717D+02
      6  -0.225587D+01  0.785068D+00  0.855350D+00  0.748159D+00 -0.141193D+01
                71            72            73            74            75 
      1   0.152542D+01  0.100109D+02  0.611804D+01 -0.528033D+01  0.218302D+01
      2  -0.215689D+01 -0.107309D+02  0.725880D+00 -0.480258D+00 -0.115360D+01
      3   0.631467D+00  0.719977D+00 -0.684392D+01  0.576059D+01 -0.102942D+01
      4   0.499851D+01  0.225780D+01 -0.901301D+01  0.119184D+02  0.145785D+00
      5   0.298630D+01  0.118627D+02  0.189730D+01  0.222076D+00  0.263811D+01
      6   0.123028D+01 -0.578663D+00 -0.127502D+00 -0.114032D+00 -0.932974D+00
                76            77            78            79            80 
      1  -0.623761D+01 -0.123860D+02  0.125904D+01  0.373765D+01  0.169201D+00
      2  -0.703777D+01  0.383208D+02 -0.166812D+01 -0.192278D+01 -0.936687D+00
      3   0.132754D+02 -0.259348D+02  0.409080D+00 -0.181486D+01  0.767485D+00
      4   0.248767D+02 -0.470360D+02  0.760672D+00 -0.105575D+01  0.206687D+01
      5   0.914928D+00  0.758375D+00 -0.532912D+01  0.505169D+01 -0.546518D+01
      6  -0.575094D+00  0.398105D+00  0.690234D+01 -0.326244D+01  0.757317D+01
                81            82            83            84            85 
      1  -0.592789D+00  0.591067D+01  0.191581D+01 -0.362463D+01  0.563619D+01
      2   0.171903D+01 -0.592987D+01 -0.153929D+01  0.301938D+01 -0.460319D+01
      3  -0.112624D+01  0.192016D-01 -0.376520D+00  0.605250D+00 -0.103300D+01
      4  -0.454914D+01  0.146864D+01  0.167965D+01  0.139150D+00  0.291843D+01
      5  -0.459281D+00 -0.423268D+01 -0.415794D+00  0.892633D+01 -0.209413D+01
      6  -0.270574D+00  0.362462D+00  0.252964D+00 -0.107641D+01 -0.758069D+00
                86            87            88            89            90 
      1  -0.646723D+00 -0.364824D-01 -0.700467D+01  0.151885D+00 -0.697097D+00
      2   0.981680D+00  0.281786D+01  0.733575D+01  0.215726D+01 -0.149666D+02
      3  -0.334958D+00 -0.278138D+01 -0.331073D+00 -0.230914D+01  0.156637D+02
      4  -0.639087D+00 -0.364520D+01  0.269110D+01 -0.519307D+01  0.233715D+01
      5  -0.326372D+01  0.664621D+01  0.136953D+02  0.196712D+01 -0.293126D+02
      6  -0.536019D+00  0.198414D+01 -0.242322D+01  0.233614D+01  0.794379D+01
                91            92            93            94            95 
      1   0.479297D+02 -0.662521D+01  0.146655D+02 -0.171292D+02  0.538684D+01
      2  -0.287918D+02  0.537837D+01 -0.953845D+01  0.113142D+02 -0.932509D+00
      3  -0.191379D+02  0.124684D+01 -0.512704D+01  0.581502D+01 -0.445433D+01
      4  -0.158072D+01  0.707382D+01 -0.114911D+01  0.101076D+02 -0.246561D+01
      5   0.176992D+02 -0.241437D+01  0.135436D+02 -0.596851D+01  0.410881D+01
      6   0.175834D+01  0.234025D+00  0.225494D+01  0.785092D+00 -0.854900D+00
                96            97            98            99           100 
      1  -0.468344D+01  0.200297D+02 -0.152620D+01  0.100087D+02  0.612025D+01
      2   0.359907D+01 -0.137319D+02  0.215784D+01 -0.107286D+02  0.725174D+00
      3   0.108437D+01 -0.629776D+01 -0.631637D+00  0.719876D+00 -0.684543D+01
      4   0.426223D+01  0.201835D+00  0.499852D+01 -0.225889D+01  0.901522D+01
      5  -0.679027D+01  0.168681D+02 -0.298691D+01  0.118576D+02  0.189826D+01
      6   0.747886D+00  0.141055D+01  0.123014D+01  0.576832D+00  0.128587D+00
               101           102           103           104           105 
      1   0.528052D+01  0.218366D+01  0.623771D+01 -0.123822D+02 -0.126084D+01
      2   0.481570D+00 -0.115356D+01  0.703871D+01  0.383178D+02  0.167143D+01
      3  -0.576209D+01 -0.103010D+01 -0.132764D+02 -0.259356D+02 -0.410588D+00
      4   0.119210D+02 -0.144543D+00  0.248791D+02  0.470369D+02  0.765373D+00
      5  -0.220818D+00  0.263807D+01 -0.912620D+00  0.763674D+00  0.532985D+01
      6  -0.113483D+00  0.933343D+00 -0.572694D+00 -0.391905D+00  0.690237D+01
               106           107           108           109           110 
      1   0.373918D+01 -0.170505D+00 -0.593292D+00  0.590858D+01 -0.191533D+01
      2  -0.192294D+01  0.940076D+00  0.171935D+01 -0.592858D+01  0.153888D+01
      3  -0.181625D+01 -0.769571D+00 -0.112605D+01  0.200011D-01  0.376449D+00
      4   0.105897D+01  0.207311D+01  0.454988D+01 -0.146812D+01  0.167956D+01
      5   0.505133D+01  0.546591D+01 -0.457386D+00 -0.423165D+01  0.414553D+00
      6   0.326277D+01  0.757327D+01  0.273032D+00 -0.363136D+00  0.252894D+00
               111           112           113           114           115 
      1  -0.362412D+01 -0.563470D+01 -0.646883D+00  0.357074D-01 -0.700367D+01
      2   0.301849D+01  0.460224D+01  0.981935D+00 -0.281636D+01  0.733473D+01
      3   0.605626D+00  0.103245D+01 -0.335052D+00  0.278066D+01 -0.331059D+00
      4  -0.140508D+00  0.291843D+01  0.640894D+00 -0.364383D+01 -0.269289D+01
      5   0.892494D+01  0.209242D+01 -0.326220D+01 -0.664283D+01  0.136939D+02
      6   0.107620D+01 -0.757830D+00  0.535701D+00  0.198519D+01  0.242402D+01
               116           117 
      1  -0.151977D+00 -0.700934D+00
      2  -0.215586D+01 -0.149658D+02
      3   0.230783D+01  0.156667D+02
      4  -0.519230D+01 -0.233439D+01
      5  -0.196399D+01 -0.293153D+02
      6   0.233734D+01 -0.794777D+01
 Leave Link  716 at Fri Jul 16 13:14:13 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.783372D+02 -0.203196D-04 -0.239503D-02
      2  -0.203196D-04  0.797125D+02  0.138602D-03
      3  -0.239503D-02  0.138602D-03  0.611674D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.218762D+01  0.337167D-03 -0.217939D+01
      2   0.419487D-04  0.320172D+01 -0.729017D-04
      3   0.529659D+01 -0.260938D-03 -0.196780D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.390554D-03 -0.348029D+02  0.142526D-03
      2  -0.791889D-03  0.219210D+02 -0.222174D-02
      3   0.118244D-02  0.128819D+02  0.207922D-02
      4  -0.382354D+02 -0.122748D-02 -0.788024D+01
      5   0.190890D-03 -0.489144D+01  0.117423D-02
      6  -0.578884D+01 -0.277918D-02 -0.502046D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.450372D+01 -0.165017D+01  0.198295D+01 -0.305144D+01  0.735141D+01
      2  -0.165017D+01  0.222806D+01 -0.111248D+01  0.735141D+01 -0.910386D+01
      3   0.198295D+01 -0.111248D+01  0.239375D+01 -0.137550D+00  0.140929D+01
                 6             7             8             9            10 
      1  -0.137550D+00  0.423326D+01 -0.863213D+00  0.157604D+01 -0.450402D+01
      2   0.140929D+01 -0.863213D+00 -0.642676D+00  0.243431D+01 -0.165018D+01
      3  -0.289241D+00  0.157604D+01  0.243431D+01 -0.682412D+01 -0.198302D+01
                11            12            13            14            15 
      1  -0.165018D+01 -0.198302D+01 -0.305170D+01 -0.735162D+01 -0.137724D+00
      2  -0.222811D+01 -0.111255D+01 -0.735162D+01 -0.910389D+01 -0.140954D+01
      3  -0.111255D+01 -0.239374D+01 -0.137724D+00 -0.140954D+01 -0.289207D+00
                16            17            18            19            20 
      1  -0.423330D+01 -0.863079D+00 -0.157597D+01  0.255458D-04  0.852474D+01
      2  -0.863079D+00  0.642480D+00  0.243429D+01  0.852474D+01 -0.439859D-04
      3  -0.157597D+01  0.243429D+01  0.682421D+01  0.402788D-04  0.176471D+01
                21            22            23            24            25 
      1   0.402788D-04  0.765461D+01  0.695945D-04  0.712587D+00  0.749024D-04
      2   0.176471D+01  0.695945D-04  0.231332D+02  0.104785D-03  0.339383D+01
      3  -0.533990D-04  0.712587D+00  0.104785D-03  0.494847D+01  0.693994D-05
                26            27            28            29            30 
      1   0.339383D+01  0.693994D-05 -0.298779D+01 -0.123267D+01 -0.310650D+01
      2   0.753472D-04  0.636630D+01 -0.123267D+01 -0.145840D+01 -0.416405D+00
      3   0.636630D+01  0.686503D-04 -0.310650D+01 -0.416405D+00 -0.149614D+01
                31            32            33            34            35 
      1  -0.883561D-01 -0.560179D+01 -0.677511D+00 -0.371190D+01 -0.499498D+00
      2  -0.560179D+01  0.985709D+01 -0.240268D+00 -0.499498D+00 -0.982044D+00
      3  -0.677511D+00 -0.240268D+00 -0.235239D+01 -0.235612D+01 -0.173820D+01
                36            37            38            39            40 
      1  -0.235612D+01  0.298861D+01 -0.123254D+01  0.310635D+01 -0.888093D-01
      2  -0.173820D+01 -0.123254D+01  0.145944D+01 -0.416493D+00  0.560272D+01
      3   0.450528D+01  0.310635D+01 -0.416493D+00  0.149536D+01 -0.677535D+00
                41            42            43            44            45 
      1   0.560272D+01 -0.677535D+00  0.371205D+01 -0.498851D+00  0.235524D+01
      2   0.985657D+01  0.241962D+00 -0.498851D+00  0.984273D+00 -0.173757D+01
      3   0.241962D+00 -0.235166D+01  0.235524D+01 -0.173757D+01 -0.450674D+01
                46            47            48            49            50 
      1   0.271731D+00 -0.101009D+01  0.102246D+01 -0.687960D+00 -0.225797D-01
      2  -0.101009D+01 -0.200018D+00  0.194165D+00 -0.225797D-01 -0.486815D+00
      3   0.102246D+01  0.194165D+00 -0.935189D+00 -0.196081D+00  0.138313D+01
                51            52            53            54            55 
      1  -0.196081D+00  0.151489D+01 -0.512199D+00  0.167251D+00 -0.271723D+00
      2   0.138313D+01 -0.512199D+00  0.307010D+01 -0.346780D+01 -0.101007D+01
      3  -0.139143D+01  0.167251D+00 -0.346780D+01  0.788919D+01 -0.102249D+01
                56            57            58            59            60 
      1  -0.101007D+01 -0.102249D+01 -0.687980D+00  0.225597D-01 -0.196053D+00
      2   0.200065D+00  0.194193D+00  0.225597D-01 -0.486822D+00 -0.138316D+01
      3   0.194193D+00  0.935254D+00 -0.196053D+00 -0.138316D+01 -0.139154D+01
                61            62            63            64            65 
      1  -0.151483D+01 -0.512213D+00 -0.167223D+00  0.791418D+01  0.637946D+00
      2  -0.512213D+00 -0.307016D+01 -0.346781D+01  0.637946D+00  0.996731D+00
      3  -0.167223D+00 -0.346781D+01 -0.788923D+01  0.255608D+01  0.389958D+00
                66            67            68            69            70 
      1   0.255608D+01  0.293830D+01  0.182447D+01  0.871787D+00  0.415499D+01
      2   0.389958D+00  0.182447D+01 -0.507646D-01  0.718219D+00  0.111756D+00
      3   0.185725D+01  0.871787D+00  0.718219D+00  0.111361D+01  0.251377D+01
                71            72            73            74            75 
      1   0.111756D+00  0.251377D+01  0.134768D+01 -0.144521D+01  0.480843D+00
      2   0.102452D+01  0.555282D+00 -0.144521D+01  0.793293D+00 -0.158218D-01
      3   0.555282D+00  0.174932D+01  0.480843D+00 -0.158218D-01  0.103780D+00
                76            77            78            79            80 
      1  -0.406113D+01  0.489257D+01  0.142715D+00  0.112068D+01 -0.363988D+00
      2   0.489257D+01 -0.113778D+02  0.169553D+00 -0.363988D+00  0.764708D+00
      3   0.142715D+00  0.169553D+00 -0.949668D+00  0.771763D+00 -0.125123D+01
                81            82            83            84            85 
      1   0.771763D+00  0.107596D+01  0.437780D+00 -0.795639D+00  0.112336D+01
      2  -0.125123D+01  0.437780D+00  0.254322D+00  0.781945D-01  0.621850D+00
      3   0.205339D-01 -0.795639D+00  0.781945D-01  0.913394D+00 -0.359606D+00
                86            87            88            89            90 
      1   0.621850D+00 -0.359606D+00 -0.219065D+01  0.430171D+00  0.213590D+01
      2  -0.404475D+00 -0.794899D+00  0.430171D+00 -0.116044D+01  0.284514D+00
      3  -0.794899D+00  0.139490D+01  0.213590D+01  0.284514D+00 -0.637653D+01
                91            92            93            94            95 
      1  -0.791453D+01  0.638380D+00 -0.255562D+01  0.293929D+01 -0.182489D+01
      2   0.638380D+00 -0.997083D+00  0.390122D+00 -0.182489D+01 -0.503191D-01
      3  -0.255562D+01  0.390122D+00 -0.185679D+01  0.871948D+00 -0.718409D+00
                96            97            98            99           100 
      1   0.871948D+00 -0.415425D+01  0.111854D+00 -0.251324D+01 -0.134825D+01
      2  -0.718409D+00  0.111854D+00 -0.102468D+01  0.555353D+00 -0.144560D+01
      3   0.111368D+01 -0.251324D+01  0.555353D+00 -0.174848D+01 -0.481001D+00
               101           102           103           104           105 
      1  -0.144560D+01 -0.481001D+00 -0.406118D+01 -0.489296D+01  0.142362D+00
      2  -0.793984D+00 -0.159353D-01 -0.489296D+01 -0.113774D+02 -0.170668D+00
      3  -0.159353D-01 -0.103810D+00  0.142362D+00 -0.170668D+00 -0.949755D+00
               106           107           108           109           110 
      1  -0.112154D+01 -0.364841D+00 -0.771730D+00 -0.107559D+01  0.437679D+00
      2  -0.364841D+00 -0.766353D+00 -0.125131D+01  0.437679D+00 -0.254278D+00
      3  -0.771730D+00 -0.125131D+01 -0.209174D-01  0.795552D+00  0.783491D-01
               111           112           113           114           115 
      1   0.795552D+00  0.112299D+01 -0.621808D+00 -0.359339D+00  0.219054D+01
      2   0.783491D-01 -0.621808D+00 -0.404732D+00  0.794686D+00  0.430271D+00
      3  -0.913065D+00 -0.359339D+00  0.794686D+00  0.139423D+01 -0.213568D+01
               116           117 
      1   0.430271D+00 -0.213568D+01
      2   0.116019D+01  0.283882D+00
      3   0.283882D+00  0.637741D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.143168D+01  0.396069D+01 -0.747457D+00 -0.147533D+00 -0.990147D+01
      2   0.167665D+01 -0.244773D+01  0.315163D+01  0.205818D+01 -0.318693D+01
      3   0.211081D+01 -0.801751D+01  0.247312D+01  0.106561D+01 -0.392887D+00
                 6             7             8             9            10 
      1   0.203781D+01 -0.558058D+01  0.871560D+01 -0.213793D+01  0.143134D+01
      2   0.246887D+01 -0.798026D+01  0.914746D+01 -0.597769D+01  0.167614D+01
      3   0.117182D+01  0.626959D+00 -0.876665D-01 -0.264685D+01 -0.210984D+01
                11            12            13            14            15 
      1   0.396050D+01  0.747665D+00 -0.147916D+00  0.990083D+01  0.203789D+01
      2   0.244792D+01  0.315189D+01 -0.205789D+01 -0.318641D+01 -0.246883D+01
      3  -0.801755D+01 -0.247296D+01  0.106646D+01  0.393741D+00  0.117160D+01
                16            17            18            19            20 
      1   0.558077D+01  0.871555D+01  0.213808D+01  0.225342D-03 -0.856077D+01
      2  -0.798056D+01 -0.914724D+01 -0.597821D+01  0.452608D+01  0.108508D-03
      3  -0.626921D+00 -0.880042D-01  0.264650D+01 -0.209168D-03 -0.104205D+02
                21            22            23            24            25 
      1  -0.979094D-04 -0.432031D+01  0.412292D-04 -0.154822D+02 -0.819084D-05
      2   0.725928D+01 -0.398623D-04  0.529996D+01  0.000000D+00 -0.984990D+01
      3  -0.147638D-03  0.183529D+02 -0.584140D-03  0.690171D+00 -0.336614D-03
                26            27            28            29            30 
      1   0.698477D+01  0.607618D-04 -0.146343D+01 -0.733408D+00 -0.219240D+01
      2  -0.689519D-04  0.282959D+00 -0.938758D+01 -0.349043D+00 -0.252174D+01
      3   0.395547D+01  0.240189D-04  0.998710D+01  0.145460D+01  0.376436D+01
                31            32            33            34            35 
      1  -0.605254D+00 -0.487217D+00 -0.370762D+01 -0.335613D+01  0.854398D+00
      2  -0.403665D+01  0.127655D+01 -0.632821D+01 -0.980282D+01 -0.276186D+01
      3   0.171717D+02 -0.185115D+02  0.163490D+01  0.421918D+01  0.189924D+01
                36            37            38            39            40 
      1   0.596267D+01  0.146311D+01 -0.733186D+00  0.219119D+01 -0.604518D+00
      2   0.973874D+01 -0.938606D+01  0.349669D+00 -0.251962D+01  0.403586D+01
      3   0.777429D+01 -0.998909D+01  0.145661D+01 -0.376509D+01  0.171747D+02
                41            42            43            44            45 
      1   0.489397D+00 -0.370626D+01  0.335446D+01  0.855036D+00 -0.596366D+01
      2   0.127182D+01  0.632662D+01 -0.980001D+01  0.276069D+01  0.974274D+01
      3   0.185093D+02  0.163969D+01 -0.421863D+01  0.190372D+01 -0.777138D+01
                46            47            48            49            50 
      1  -0.669482D+00  0.370972D+00 -0.349531D+00  0.649257D+00 -0.120890D+00
      2   0.180335D+01  0.143934D+01 -0.209835D+00  0.195228D+01  0.126706D+01
      3   0.483578D+00  0.194115D+00 -0.604228D+00  0.206943D+01  0.155456D+01
                51            52            53            54            55 
      1  -0.248140D+01 -0.113283D+01  0.269528D+01  0.283199D+01  0.669430D+00
      2  -0.253163D+01 -0.277271D+01 -0.389694D+01  0.714920D+01  0.180344D+01
      3  -0.178682D+01 -0.130935D+01 -0.238910D+01  0.265321D+01 -0.483581D+00
                56            57            58            59            60 
      1   0.371010D+00  0.349680D+00  0.649313D+00  0.121024D+00 -0.248141D+01
      2  -0.143934D+01 -0.209901D+00 -0.195234D+01  0.126706D+01  0.253176D+01
      3   0.194276D+00  0.604343D+00  0.206956D+01 -0.155458D+01 -0.178685D+01
                61            62            63            64            65 
      1   0.113281D+01  0.269524D+01 -0.283201D+01  0.206570D+01  0.675483D+00
      2  -0.277261D+01  0.389694D+01  0.714910D+01  0.510864D+01  0.987729D+00
      3   0.130928D+01 -0.238925D+01 -0.265319D+01 -0.102924D+02 -0.527858D+01
                66            67            68            69            70 
      1   0.130491D+01  0.938190D+00  0.489588D+00  0.385459D-01  0.113888D+01
      2   0.663440D+01  0.205732D+01  0.127522D+01  0.352463D+01  0.384714D+01
      3  -0.378372D+01 -0.524699D+01 -0.230375D+01 -0.261346D+01 -0.490446D+01
                71            72            73            74            75 
      1   0.185033D+01  0.917023D+00 -0.215527D+00 -0.111243D+00  0.907131D+00
      2   0.150747D+01  0.442228D+01  0.427951D+00 -0.108329D+00  0.162618D+01
      3  -0.327765D+01 -0.380051D+01  0.328012D+00 -0.190397D+01 -0.216568D+00
                76            77            78            79            80 
      1   0.870409D+00  0.338827D+00 -0.423558D+01  0.121029D+01 -0.784084D+00
      2   0.196889D+01 -0.147113D+01 -0.318279D+01  0.759135D+00 -0.210900D+01
      3  -0.401882D+01  0.224956D+02 -0.782883D+00 -0.467243D+00 -0.112992D+01
                81            82            83            84            85 
      1  -0.604661D+00 -0.927043D+00  0.117763D+00  0.110408D+01  0.455590D+00
      2  -0.608823D+00 -0.189245D+01  0.449309D+00  0.298148D+01  0.916948D+00
      3   0.100780D+01 -0.141292D+01 -0.116700D+01  0.929086D+00 -0.632503D+00
                86            87            88            89            90 
      1  -0.162291D+01  0.797347D+00  0.216645D+01  0.310484D+01 -0.682548D+01
      2  -0.181073D+01  0.327696D+01  0.128932D+01  0.130543D+01 -0.148647D+02
      3  -0.713241D+00  0.203092D+01  0.178817D+01  0.300741D+01 -0.406673D+01
                91            92            93            94            95 
      1  -0.206486D+01  0.675496D+00 -0.130426D+01  0.938078D+00 -0.489667D+00
      2   0.510740D+01 -0.988244D+00  0.663328D+01 -0.205753D+01  0.127569D+01
      3   0.102944D+02 -0.527963D+01  0.378371D+01 -0.524924D+01  0.230541D+01
                96            97            98            99           100 
      1   0.383391D-01 -0.113817D+01  0.185019D+01 -0.916254D+00  0.215478D+00
      2  -0.352505D+01  0.384599D+01 -0.150753D+01  0.441992D+01  0.428059D+00
      3  -0.261437D+01  0.490437D+01 -0.327783D+01  0.380005D+01 -0.327989D+00
               101           102           103           104           105 
      1  -0.111326D+00 -0.907257D+00  0.869856D+00 -0.339757D+00 -0.423578D+01
      2   0.108402D+00  0.162621D+01 -0.196826D+01 -0.146827D+01  0.318301D+01
      3  -0.190537D+01  0.216500D+00 -0.401984D+01 -0.224945D+02 -0.785307D+00
               106           107           108           109           110 
      1  -0.120999D+01 -0.784222D+00  0.603859D+00  0.926738D+00  0.118021D+00
      2   0.758349D+00  0.210872D+01 -0.607892D+00 -0.189251D+01 -0.449719D+00
      3   0.466846D+00 -0.113292D+01 -0.100814D+01  0.141222D+01 -0.116690D+01
               111           112           113           114           115 
      1  -0.110364D+01  0.455725D+00  0.162213D+01  0.796516D+00 -0.216595D+01
      2   0.298059D+01 -0.916779D+00 -0.180989D+01 -0.327534D+01  0.128843D+01
      3  -0.928466D+00 -0.632461D+00  0.712339D+00  0.202976D+01 -0.178786D+01
               116           117 
      1   0.310448D+01  0.682638D+01
      2  -0.130406D+01 -0.148668D+02
      3   0.300650D+01  0.406491D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153140D+01 -0.620166D+01  0.302986D+01 -0.150423D+01  0.105259D+02
      2  -0.252367D+01  0.880896D+01 -0.544529D+01  0.407071D+01 -0.542518D+01
      3   0.992274D+00 -0.260730D+01  0.241544D+01 -0.256648D+01 -0.510071D+01
      4  -0.316958D+01  0.836418D+00 -0.152713D+01 -0.800216D+00 -0.218450D+01
      5   0.474012D+01 -0.163129D+01 -0.256696D+00  0.194354D+00 -0.349160D+01
      6  -0.136064D+01 -0.239661D+01  0.312559D+01  0.153351D+00  0.529154D+01
                 6             7             8             9            10 
      1  -0.646953D+01  0.120651D+01 -0.454185D+01  0.858355D+01  0.153347D+01
      2   0.493569D+01 -0.208700D+01  0.248415D+01 -0.507054D+00 -0.252567D+01
      3   0.153384D+01  0.880486D+00  0.205771D+01 -0.807650D+01  0.992201D+00
      4   0.564677D+00  0.245021D+00 -0.152622D+01 -0.303278D+01  0.316957D+01
      5   0.792138D+01  0.539121D+01  0.427016D+00 -0.737157D+01  0.473991D+01
      6  -0.100834D+02 -0.242323D+01 -0.701420D+00  0.741437D+01  0.136095D+01
                11            12            13            14            15 
      1   0.620279D+01  0.303030D+01  0.150516D+01  0.105283D+02  0.646998D+01
      2  -0.880935D+01 -0.544589D+01 -0.407089D+01 -0.542672D+01 -0.493578D+01
      3   0.260655D+01  0.241558D+01  0.256573D+01 -0.510162D+01 -0.153420D+01
      4   0.836684D+00  0.152692D+01 -0.799974D+00  0.218501D+01  0.565359D+00
      5   0.163218D+01 -0.256312D+00 -0.193357D+00 -0.348958D+01 -0.792112D+01
      6  -0.239620D+01 -0.312560D+01  0.153992D+00 -0.529117D+01 -0.100837D+02
                16            17            18            19            20 
      1   0.120635D+01  0.454136D+01  0.858238D+01  0.634036D+01 -0.313238D-03
      2  -0.208690D+01 -0.248363D+01 -0.506452D+00  0.586076D+01  0.200702D-03
      3   0.880557D+00 -0.205773D+01 -0.807593D+01 -0.122011D+02  0.112536D-03
      4  -0.244966D+00 -0.152570D+01  0.303339D+01  0.598521D-04  0.346893D+02
      5   0.538983D+01 -0.426779D+00 -0.737209D+01 -0.228321D+01 -0.226562D-03
      6   0.242338D+01 -0.701360D+00 -0.741504D+01 -0.179763D-03  0.919121D+01
                21            22            23            24            25 
      1  -0.715690D+01 -0.577139D-03 -0.532224D+02 -0.334648D-03 -0.210017D+01
      2   0.843536D+01  0.375017D-03  0.785380D+02  0.384445D-03  0.731174D+01
      3  -0.127846D+01  0.202122D-03 -0.253156D+02 -0.497968D-04 -0.521157D+01
      4   0.515243D-04  0.243360D+02  0.444077D-05  0.168216D+00 -0.125783D-03
      5   0.179311D+02 -0.542684D-03  0.530230D+01 -0.322013D-04  0.148826D+02
      6  -0.257556D-04  0.227923D+01 -0.158178D-03  0.328375D+02 -0.750554D-04
                26            27            28            29            30 
      1  -0.281030D-03 -0.223214D+02 -0.134648D+02 -0.112033D+02 -0.156448D+02
      2   0.292154D-03  0.108547D+01  0.103325D+02  0.947526D+01  0.930709D+01
      3  -0.111243D-04  0.212360D+02  0.313231D+01  0.172807D+01  0.633774D+01
      4   0.351824D+01 -0.197061D-03 -0.975070D+01 -0.240755D+01 -0.234847D+00
      5  -0.363202D-03 -0.235152D+01 -0.192146D+02 -0.179437D+01 -0.857467D+01
      6   0.334704D+02 -0.383850D-04  0.310726D+01 -0.527897D+00  0.187875D+01
                31            32            33            34            35 
      1  -0.173345D+02  0.372356D+01 -0.617199D+01 -0.187628D+02 -0.251469D+01
      2   0.187630D+02 -0.208789D+02  0.259087D+01  0.855247D+01  0.163915D+01
      3  -0.142851D+01  0.171554D+02  0.358111D+01  0.102103D+02  0.875539D+00
      4  -0.132966D+02  0.323550D+02 -0.245992D+01 -0.534452D-01 -0.327625D+01
      5  -0.322547D+01 -0.298749D+01 -0.118305D+02 -0.124570D+02 -0.750601D+01
      6  -0.266300D+00  0.164283D+01  0.322899D+01  0.164893D+01  0.391092D+01
                36            37            38            39            40 
      1  -0.902057D+01 -0.134687D+02  0.112051D+02 -0.156440D+02  0.173381D+02
      2   0.138416D+02  0.103343D+02 -0.947794D+01  0.930676D+01 -0.187661D+02
      3  -0.482100D+01  0.313437D+01 -0.172721D+01  0.633719D+01  0.142793D+01
      4  -0.641199D+01  0.975273D+01 -0.241124D+01  0.236613D+00 -0.133016D+02
      5   0.180609D+02 -0.192128D+02  0.179476D+01 -0.857010D+01  0.322536D+01
      6  -0.668653D+01 -0.310674D+01 -0.528409D+00 -0.187776D+01 -0.269209D+00
                41            42            43            44            45 
      1   0.371681D+01  0.617565D+01 -0.187612D+02  0.251738D+01 -0.901316D+01
      2  -0.208748D+02 -0.259681D+01  0.855025D+01 -0.164569D+01  0.138376D+02
      3   0.171580D+02 -0.357884D+01  0.102109D+02 -0.871685D+00 -0.482441D+01
      4  -0.323553D+02 -0.246706D+01  0.536816D-01 -0.328380D+01  0.640937D+01
      5  -0.299592D+01  0.118266D+02 -0.124510D+02  0.750293D+01  0.180675D+02
      6  -0.164936D+01  0.322812D+01 -0.164863D+01  0.390981D+01  0.669038D+01
                46            47            48            49            50 
      1   0.103143D+01 -0.164929D+01  0.296541D+01 -0.106392D+01 -0.656157D+01
      2  -0.285656D+01  0.402233D+00 -0.404334D+00  0.112423D+01  0.180638D+01
      3   0.182513D+01  0.124706D+01 -0.256108D+01 -0.603143D-01  0.475519D+01
      4  -0.608543D+00  0.341188D+01 -0.220967D+01  0.319707D+01 -0.433241D+00
      5   0.247234D+00 -0.202960D+01  0.533826D+01 -0.168750D+01  0.222477D+01
      6  -0.202220D+01 -0.204437D+01  0.112461D+01 -0.479955D+00 -0.635428D+01
                51            52            53            54            55 
      1   0.496109D+01  0.184088D+01  0.585324D+01 -0.175124D+02  0.103164D+01
      2  -0.713004D+00 -0.179872D+01  0.332613D+01 -0.102878D+02 -0.285649D+01
      3  -0.424809D+01 -0.421545D-01 -0.917937D+01  0.278002D+02  0.182485D+01
      4   0.432854D+00 -0.314297D+01  0.117099D+01  0.491254D+00  0.608391D+00
      5  -0.262972D+01  0.317468D+01 -0.331555D+01  0.839447D+01  0.247375D+00
      6   0.113848D+02 -0.226765D+00  0.877189D+01 -0.153420D+02  0.202233D+01
                56            57            58            59            60 
      1   0.164936D+01  0.296559D+01  0.106395D+01 -0.656170D+01 -0.496126D+01
      2  -0.402340D+00 -0.404321D+00 -0.112464D+01  0.180617D+01  0.713062D+00
      3  -0.124702D+01 -0.256127D+01  0.606941D-01  0.475554D+01  0.424820D+01
      4   0.341187D+01  0.220977D+01  0.319681D+01  0.432951D+00  0.432770D+00
      5   0.202967D+01  0.533811D+01  0.168715D+01  0.222457D+01  0.262996D+01
      6  -0.204447D+01 -0.112478D+01 -0.479976D+00  0.635441D+01  0.113850D+02
                61            62            63            64            65 
      1   0.184072D+01 -0.585308D+01 -0.175121D+02  0.479275D+02  0.662181D+01
      2  -0.179847D+01 -0.332622D+01 -0.102880D+02 -0.287907D+02 -0.537629D+01
      3  -0.422570D-01  0.917930D+01  0.278001D+02 -0.191368D+02 -0.124552D+01
      4   0.314314D+01  0.117111D+01 -0.491457D+00  0.157604D+01  0.707279D+01
      5   0.317481D+01  0.331548D+01  0.839420D+01  0.177031D+02  0.241336D+01
      6   0.226618D+00  0.877191D+01  0.153424D+02 -0.175953D+01  0.234370D+00
                66            67            68            69            70 
      1   0.146679D+02  0.171236D+02  0.538436D+01  0.468232D+01  0.200331D+02
      2  -0.954004D+01 -0.113110D+02 -0.931324D+00 -0.359811D+01 -0.137346D+02
      3  -0.512785D+01 -0.581267D+01 -0.445304D+01 -0.108421D+01 -0.629847D+01
      4   0.114766D+01  0.101054D+02  0.246296D+01  0.426146D+01 -0.203598D+00
      5   0.135466D+02  0.596792D+01  0.410801D+01  0.678961D+01  0.168717D+02
      6  -0.225587D+01  0.785068D+00  0.855350D+00  0.748159D+00 -0.141193D+01
                71            72            73            74            75 
      1   0.152542D+01  0.100109D+02  0.611804D+01 -0.528033D+01  0.218302D+01
      2  -0.215689D+01 -0.107309D+02  0.725880D+00 -0.480258D+00 -0.115360D+01
      3   0.631467D+00  0.719977D+00 -0.684392D+01  0.576059D+01 -0.102942D+01
      4   0.499851D+01  0.225780D+01 -0.901301D+01  0.119184D+02  0.145785D+00
      5   0.298630D+01  0.118627D+02  0.189730D+01  0.222076D+00  0.263811D+01
      6   0.123028D+01 -0.578663D+00 -0.127502D+00 -0.114032D+00 -0.932974D+00
                76            77            78            79            80 
      1  -0.623761D+01 -0.123860D+02  0.125904D+01  0.373765D+01  0.169201D+00
      2  -0.703777D+01  0.383208D+02 -0.166812D+01 -0.192278D+01 -0.936687D+00
      3   0.132754D+02 -0.259348D+02  0.409080D+00 -0.181486D+01  0.767485D+00
      4   0.248767D+02 -0.470360D+02  0.760672D+00 -0.105575D+01  0.206687D+01
      5   0.914928D+00  0.758375D+00 -0.532912D+01  0.505169D+01 -0.546518D+01
      6  -0.575094D+00  0.398105D+00  0.690234D+01 -0.326244D+01  0.757317D+01
                81            82            83            84            85 
      1  -0.592789D+00  0.591067D+01  0.191581D+01 -0.362463D+01  0.563619D+01
      2   0.171903D+01 -0.592987D+01 -0.153929D+01  0.301938D+01 -0.460319D+01
      3  -0.112624D+01  0.192016D-01 -0.376520D+00  0.605250D+00 -0.103300D+01
      4  -0.454914D+01  0.146864D+01  0.167965D+01  0.139150D+00  0.291843D+01
      5  -0.459281D+00 -0.423268D+01 -0.415794D+00  0.892633D+01 -0.209413D+01
      6  -0.270574D+00  0.362462D+00  0.252964D+00 -0.107641D+01 -0.758069D+00
                86            87            88            89            90 
      1  -0.646723D+00 -0.364824D-01 -0.700467D+01  0.151885D+00 -0.697097D+00
      2   0.981680D+00  0.281786D+01  0.733575D+01  0.215726D+01 -0.149666D+02
      3  -0.334958D+00 -0.278138D+01 -0.331073D+00 -0.230914D+01  0.156637D+02
      4  -0.639087D+00 -0.364520D+01  0.269110D+01 -0.519307D+01  0.233715D+01
      5  -0.326372D+01  0.664621D+01  0.136953D+02  0.196712D+01 -0.293126D+02
      6  -0.536019D+00  0.198414D+01 -0.242322D+01  0.233614D+01  0.794379D+01
                91            92            93            94            95 
      1   0.479297D+02 -0.662521D+01  0.146655D+02 -0.171292D+02  0.538684D+01
      2  -0.287918D+02  0.537837D+01 -0.953845D+01  0.113142D+02 -0.932509D+00
      3  -0.191379D+02  0.124684D+01 -0.512704D+01  0.581502D+01 -0.445433D+01
      4  -0.158072D+01  0.707382D+01 -0.114911D+01  0.101076D+02 -0.246561D+01
      5   0.176992D+02 -0.241437D+01  0.135436D+02 -0.596851D+01  0.410881D+01
      6   0.175834D+01  0.234025D+00  0.225494D+01  0.785092D+00 -0.854900D+00
                96            97            98            99           100 
      1  -0.468344D+01  0.200297D+02 -0.152620D+01  0.100087D+02  0.612025D+01
      2   0.359907D+01 -0.137319D+02  0.215784D+01 -0.107286D+02  0.725174D+00
      3   0.108437D+01 -0.629776D+01 -0.631637D+00  0.719876D+00 -0.684543D+01
      4   0.426223D+01  0.201835D+00  0.499852D+01 -0.225889D+01  0.901522D+01
      5  -0.679027D+01  0.168681D+02 -0.298691D+01  0.118576D+02  0.189826D+01
      6   0.747886D+00  0.141055D+01  0.123014D+01  0.576832D+00  0.128587D+00
               101           102           103           104           105 
      1   0.528052D+01  0.218366D+01  0.623771D+01 -0.123822D+02 -0.126084D+01
      2   0.481570D+00 -0.115356D+01  0.703871D+01  0.383178D+02  0.167143D+01
      3  -0.576209D+01 -0.103010D+01 -0.132764D+02 -0.259356D+02 -0.410588D+00
      4   0.119210D+02 -0.144543D+00  0.248791D+02  0.470369D+02  0.765373D+00
      5  -0.220818D+00  0.263807D+01 -0.912620D+00  0.763674D+00  0.532985D+01
      6  -0.113483D+00  0.933343D+00 -0.572694D+00 -0.391905D+00  0.690237D+01
               106           107           108           109           110 
      1   0.373918D+01 -0.170505D+00 -0.593292D+00  0.590858D+01 -0.191533D+01
      2  -0.192294D+01  0.940076D+00  0.171935D+01 -0.592858D+01  0.153888D+01
      3  -0.181625D+01 -0.769571D+00 -0.112605D+01  0.200011D-01  0.376449D+00
      4   0.105897D+01  0.207311D+01  0.454988D+01 -0.146812D+01  0.167956D+01
      5   0.505133D+01  0.546591D+01 -0.457386D+00 -0.423165D+01  0.414553D+00
      6   0.326277D+01  0.757327D+01  0.273032D+00 -0.363136D+00  0.252894D+00
               111           112           113           114           115 
      1  -0.362412D+01 -0.563470D+01 -0.646883D+00  0.357074D-01 -0.700367D+01
      2   0.301849D+01  0.460224D+01  0.981935D+00 -0.281636D+01  0.733473D+01
      3   0.605626D+00  0.103245D+01 -0.335052D+00  0.278066D+01 -0.331059D+00
      4  -0.140508D+00  0.291843D+01  0.640894D+00 -0.364383D+01 -0.269289D+01
      5   0.892494D+01  0.209242D+01 -0.326220D+01 -0.664283D+01  0.136939D+02
      6   0.107620D+01 -0.757830D+00  0.535701D+00  0.198519D+01  0.242402D+01
               116           117 
      1  -0.151977D+00 -0.700934D+00
      2  -0.215586D+01 -0.149658D+02
      3   0.230783D+01  0.156667D+02
      4  -0.519230D+01 -0.233439D+01
      5  -0.196399D+01 -0.293153D+02
      6   0.233734D+01 -0.794777D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y         -0.857373D+00     -0.217922D+01     -0.726911D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx        -0.252441D-04     -0.374078D-05     -0.416218D-05
   yy         0.729207D+02      0.108057D+02      0.120230D+02
   zx         0.190755D+01      0.282670D+00      0.314512D+00
   zy         0.152110D-03      0.225403D-04      0.250795D-04
   zz         0.543334D+02      0.805139D+01      0.895838D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.730724D+02      0.108282D+02      0.120480D+02
   aniso      0.178971D+02      0.265208D+01      0.295084D+01
   xx         0.783372D+02      0.116084D+02      0.129161D+02
   yx        -0.203196D-04     -0.301105D-05     -0.335025D-05
   yy         0.797125D+02      0.118122D+02      0.131428D+02
   zx        -0.239503D-02     -0.354906D-03     -0.394887D-03
   zy         0.138602D-03      0.205387D-04      0.228523D-04
   zz         0.611674D+02      0.906407D+01      0.100851D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.13286900          0.81515011          0.69897180
     6         -1.13286777         -0.81515026          0.69898333
    16         -0.00000159         -0.00000351         -2.47732323
     6          3.66386852         -0.17791381          1.53375679
     6         -3.66386502          0.17791726          1.53374681
     1          0.78491925          2.78418311          1.15931387
     1         -0.78490771         -2.78417580          1.15934796
     1          5.20040593          0.90919957          0.69395049
     1          3.83712300         -0.04598415          3.59026126
     1          3.89398470         -2.14851187          0.97868050
     1         -5.20040845         -0.90895217          0.69362816
     1         -3.83728941          0.04562999          3.59021235
     1         -3.89382273          2.14862693          0.97900207

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.857373D+00      0.217922D+01      0.726911D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx         0.190760D+01      0.282678D+00      0.314521D+00
   yy         0.543335D+02      0.805139D+01      0.895838D+01
   zx         0.204132D-04      0.302492D-05      0.336568D-05
   zy        -0.148075D-03     -0.219425D-04     -0.244143D-04
   zz         0.729207D+02      0.108057D+02      0.120230D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.730724D+02      0.108282D+02      0.120480D+02
   aniso      0.178971D+02      0.265208D+01      0.295084D+01
   xx         0.783372D+02      0.116084D+02      0.129161D+02
   yx        -0.234055D-02     -0.346833D-03     -0.385904D-03
   yy         0.611674D+02      0.906407D+01      0.100851D+02
   zx         0.159559D-04      0.236443D-05      0.263078D-05
   zy        -0.140623D-03     -0.208382D-04     -0.231856D-04
   zz         0.797125D+02      0.118122D+02      0.131428D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-36-01\Freq\RB3LYP\Gen\C4H8S1\PIERPA\16-Jul-2021\0\\#P
  B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSym
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 tions.\\0,1\C,0.599491,-0.369878,0.431357\C,-0.599488,-0.369888,-0.431
 357\S,-0.000005,1.310943,-0.000002\C,1.938838,-0.811623,-0.094154\C,-1
 .938831,-0.81163,0.094156\H,0.415368,-0.613481,1.473325\H,-0.415358,-0
 .613502,-1.473321\H,2.751939,-0.367214,0.481119\H,2.030524,-1.899878,-
 0.02434\H,2.060606,-0.517889,-1.13695\H,-2.751938,-0.367061,-0.480988\
 H,-2.0306,-1.899865,0.024153\H,-2.060517,-0.518072,1.137011\\Version=E
 S64L-G16RevA.03\State=1-A\HF=-555.5301657\RMSD=5.184e-09\RMSF=3.468e-0
 6\ZeroPoint=0.1109525\Thermal=0.1170813\Dipole=0.0000027,-0.8573727,0.
 \DipoleDeriv=0.1441818,-0.0546104,-0.0386776,-0.2640949,0.3992253,-0.0
 346484,-0.0248605,0.053543,0.0527612,0.1441681,0.0546211,-0.0386759,0.
 2640898,0.3992252,0.0346499,-0.0248631,-0.0535364,0.05276,-0.2767893,-
 0.0000012,0.0454528,-0.0000082,-0.6868655,-0.0000055,-0.0009235,0.0000
 004,-0.1148779,0.0441464,0.0077943,0.0481624,0.1005926,0.0460329,-0.00
 18363,0.0147184,0.025896,0.0611682,0.044142,-0.0077992,0.048153,-0.100
 5765,0.0460411,0.0018481,0.0146985,-0.0258947,0.06117,0.001484,0.03772
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 795,0.0014884,-0.0377261,0.0493448,-0.0586961,-0.0323947,-0.0828007,0.
 0245816,-0.0581245,-0.0617782,-0.0847835,-0.0026768,-0.0529113,-0.0759
 377,0.0355124,-0.0549736,-0.0781869,-0.0484328,0.0140426,-0.0111872,0.
 0439361,0.0037066,0.0791674,-0.1585071,0.009333,0.0267075,-0.0026987,0
 .0786782,0.0445586,0.0180535,-0.0323481,-0.0136786,0.0535607,0.0612519
 ,0.0375051,0.0197487,-0.087432,-0.0847811,0.0026882,-0.0529015,0.07596
 47,0.0354909,0.0549755,-0.0781602,0.0484413,0.0140688,-0.0111828,-0.04
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 HE WHO LAUGHS LAST PROBABLY DIDN'T GET THE JOKE.
 Job cpu time:       0 days  0 hours 32 minutes 45.8 seconds.
 Elapsed time:       0 days  0 hours  4 minutes  8.4 seconds.
 File lengths (MBytes):  RWF=    114 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:14:14 2021.
